1,3-dicarbonyl compounds

Alfa Aesar™ Malonic acid, 99%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid, dicarboxymethane, carboxyacetic acid, methanedicarboxylic acid, kyselina malonova, usaf ek-695, dicarboxylate, dicarboxylic acid, kyselina malonova czech, propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Diethyl malonate, 99+%, ACROS Organics™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Alfa Aesar™ Methyl hydrogen malonate, 96%

CAS: 16695-14-0 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00667796 InChI Key: PBVZQAXFSQKDKK-UHFFFAOYSA-N Synonym: methyl hydrogen malonate, malonic acid monomethyl ester, 3-methoxy-3-oxo-propanoic acid, 1-methyl malonate, hydrogen methyl malonate PubChem CID: 538366 IUPAC Name: 3-methoxy-3-oxopropanoic acid SMILES: COC(=O)CC(=O)O

Alfa Aesar™ Diethyl acetone-1,3-dicarboxylate, 96%

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.206 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Malonic acid, 99%, ACROS Organics™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid, dicarboxymethane, carboxyacetic acid, methanedicarboxylic acid, kyselina malonova, usaf ek-695, dicarboxylate, dicarboxylic acid, kyselina malonova czech, propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Ethyl acetoacetate, 99%, pure, Acros Organics

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Dimethyl malonate, 99+%, Acros Organics

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate, methyl malonate, propanedioic acid, dimethyl ester, malonic acid dimethyl ester, 1,3-dimethyl propanedioate, dimethyl 1,3-propanedioate, malonic acid, dimethyl ester, unii-em8y79998c, ccris 8981, propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

Diethyl malonate, 99%, Alfa Aesar™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Diethyl ethylmalonate, 99%, Acros Organics

CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate, diethyl 2-ethylmalonate, propanedioic acid, ethyl-, diethyl ester, ethylmalonic acid diethyl ester, 1,3-diethyl 2-ethylpropanedioate, unii-69g92oyr3m, propanedioic acid, 2-ethyl-, 1,3-diethyl ester, malonic acid, ethyl-, diethyl ester, diethyl ethylpropanedioate, diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

Ethyl butyrylacetate, 98%, Acros Organics

CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate, ethyl butyroacetate, hexanoic acid, 3-oxo-, ethyl ester, ethyl beta-ketohexanoate, ethyl alpha-butyrylacetate, 3-ketohexanoic acid ethyl ester, ethyl-3-oxohexanoate, unii-8q1ahg710e, ethyl .alpha.-butyrylacetate, fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

Diethyl phenylmalonate, 98%, Acros Organics™

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate, diethyl 2-phenylmalonate, phenylmalonic acid diethyl ester, propanedioic acid, phenyl-, diethyl ester, diethylphenylmalonate, 1,3-diethyl 2-phenylpropanedioate, malonic acid, phenyl-, diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Ethyl Acetoacetate, ≥99%, Alfa Aesar™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Alfa Aesar™ Benzyl ethyl malonate, tech. 85%

CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate, benzylethyl malonate, malonic acid benzyl ethyl ester, ethyl benzylmalonate, acmc-20alpf, 1-benzyl 3-ethyl malonate #, ethyl phenylmethyl propanedioate, 1-benzyl 3-ethyl propanedioate, malonic acid 1-benzyl 3-ethyl ester, ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 IUPAC Name: 3-O-benzyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1

Mono-Ethyl malonate, 95%, ACROS Organics™

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.11 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate, monoethyl malonate, monoethyl malonic acid, mono-ethyl malonate, monoethyl hydrogen malonate, malonic acid monoethyl ester, ethoxycarbonyl acetic acid, 2-ethoxycarbonyl acetic acid, 3-ethoxy-3-oxo-propanoic acid, ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

Alfa Aesar™ Methyl 2-ethylacetoacetate, 97%

CAS: 51756-08-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD01632136 InChI Key: YXLVLOWNJCOOAU-UHFFFAOYSA-N Synonym: methyl 2-ethylacetoacetate, butanoic acid, 2-ethyl-3-oxo-, methyl ester, methyl-2-ethylacetoacetate, 2-ethyl-3-oxobutanoic acid, methyl ester, methyl ethylacetoacetate, methyl acetylbutyrate, methyl 2-acetylbutyrate, acmc-1b06q, methyl 2-ethyl-3-oxobutyrate, methyl 2-ethyl-3-oxo-butyrate PubChem CID: 103534 IUPAC Name: methyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OC

Alfa Aesar™ Methyl 3-oxotetrahydrothiophene-2-carboxylate, 98%

CAS: 2689-69-2 Molecular Formula: C6H8O3S Molecular Weight (g/mol): 160.187 MDL Number: MFCD00156156 InChI Key: TUSSXVYKOOVOID-UHFFFAOYSA-N Synonym: methyl 3-oxotetrahydrothiophene-2-carboxylate, 2-thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester, methyl tetrahydro-3-oxo-2-thenoate, methyl 3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate, acmc-1cmcz, 2-methoxycarbonyl-3-oxotetrahydrothiophene, methyl 3-oxo-tetrahydrothiophene-2-carboxylate, 2-carbomethoxy-2,3,4,5-tetrahydrothiophen-3-one, methyl 3-oxo-2,4,5-trihydrothiophene-2-carboxylate PubChem CID: 102870 IUPAC Name: methyl 3-oxothiolane-2-carboxylate SMILES: COC(=O)C1C(=O)CCS1

Alfa Aesar™ Diethyl (3-chloropropyl)malonate, 98%

CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: diethyl 3-chloropropyl malonate, diethyl 2-3-chloropropyl malonate, malonic acid, 3-chloropropyl-, diethyl ester, 2-3-chloropropyl malonic acid diethyl ester, acmc-20al9u, diethyl ?-chloropropyl malonate, chloropropylmalonic acid diethyl ester, diethyl 2-3-chloropropyl propanedioate PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC

Methyl 4-oxotetrahydrothiophene-3-carboxylate, Technical Grade, Maybridge

CAS: 2689-68-1 Molecular Formula: C6H8O3S Molecular Weight (g/mol): 160.187 InChI Key: LEAKUJFYXNILRB-UHFFFAOYSA-N Synonym: methyl 4-oxotetrahydrothiophene-3-carboxylate, 4-carbomethoxytetrahydro-3-thiophenone, 4-carbomethoxy-3-thiophanone, 3-thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester, methyl tetrahydro-4-oxo-3-thiophenecarboxylate, methyl 3-oxotetrahydrothiophene-4-carboxylate, 4-carbomethoxytetrahydro-3-thi ophenone, methyl 4-oxo-tetrahydrothiophene-3-carboxylate, methyl 4-oxo-2,3,5-trihydrothiophene-3-carboxylate, methyl tetrahydro-4-oxo-3-thenoate PubChem CID: 98424 IUPAC Name: methyl 4-oxothiolane-3-carboxylate SMILES: COC(=O)C1CSCC1=O

Alfa Aesar™ Benzyl acetoacetate, 97%

CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate, acetoacetic acid benzyl ester, benzyl acetylacetate, acetoacetic acid, benzyl ester, phenylmethyl 3-oxobutanoate, butanoic acid, 3-oxo-, phenylmethyl ester, benzyl beta-ketobutyrate, ac-benzyl, unii-f9s0xgv18x, f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

Alfa Aesar™ Methyl malonyl chloride, 97%

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: methyl malonyl chloride, methyl 3-chloro-3-oxopropionate, methyl chloroformylacetate, propanoic acid, 3-chloro-3-oxo-, methyl ester, methyl-3-chloro-3-oxopropionate, methyl-3-chlor-3-oxopropanoat, methyl chlorocarbonylacetate, carbomethoxy acetyl chloride, methyl chloroformyl acetate, methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

Ethyl malonyl chloride, 90%, tech., ACROS Organics™

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate, ethyl chloroformylacetate, ethyl chloroformyl acetate, propanoic acid, 3-chloro-3-oxo-, ethyl ester, ethyl3-chloro-3-oxopropanoate, ethyl malonylchloride, carbethoxyacetyl chloride, 2-ethoxycarbonylacetyl chloride, ethyl 2-chlorocarbonyl acetate, chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(=O)Cl

Methyl 2-oxocyclohexanecarboxylate, 90%, ACROS Organics™

CAS: 41302-34-5 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.2 MDL Number: MFCD00077699 InChI Key: JEENWEAPRWGXSG-UHFFFAOYSA-N Synonym: methyl 2-oxocyclohexanecarboxylate, 2-methoxycarbonylcyclohexanone, 2-carbomethoxycyclohexanone, cyclohexanecarboxylic acid, 2-oxo-, methyl ester, methyl cyclohexanone-2-carboxylate, 2-oxo-cyclohexanecarboxylic acid methyl ester, 2-hydroxy methyl cyclohexanone, 2-oxocyclohexanecarboxylic acid, methyl ester, pubchem20380, acmc-1ao3u PubChem CID: 170489 IUPAC Name: methyl 2-oxocyclohexane-1-carboxylate SMILES: COC(=O)C1CCCCC1=O

Methyl malonyl chloride, 97%, Acros Organics™

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: methyl malonyl chloride, methyl 3-chloro-3-oxopropionate, methyl chloroformylacetate, propanoic acid, 3-chloro-3-oxo-, methyl ester, methyl-3-chloro-3-oxopropionate, methyl-3-chlor-3-oxopropanoat, methyl chlorocarbonylacetate, carbomethoxy acetyl chloride, methyl chloroformyl acetate, methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

Alfa Aesar™ Ethyl malonyl chloride, 95%

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate, ethyl chloroformylacetate, ethyl chloroformyl acetate, propanoic acid, 3-chloro-3-oxo-, ethyl ester, ethyl3-chloro-3-oxopropanoate, ethyl malonylchloride, carbethoxyacetyl chloride, 2-ethoxycarbonylacetyl chloride, ethyl 2-chlorocarbonyl acetate, chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(=O)Cl

Ethyl potassium malonate, 98%, Acros Organics™

CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.2 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate, potassium 3-ethoxy-3-oxopropanoate, potassium ethyl malonate, potassium monoethyl malonate, monoethyl malonate potassium salt, malonic acid monoethyl ester potassium salt, monoethyl potassium malonate, ethyl malonate potassium salt, propanedioic acid, monoethyl ester, potassium salt, ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

Alfa Aesar™ Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%

CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.2 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYSA-N Synonym: dimethyl succinylsuccinate, dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, succinosuccinic acid, dimethyl ester, dmss, dimethyl succinylosuccinate, dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate, dimethyl succinylo succinate, 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester, 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

Diethyl 1,3-acetonedicarboxylate, 95%, ACROS Organics™

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Alfa Aesar™ Di-tert-butyl malonate, 98+%, stab. with potassium carbonate

CAS: 541-16-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate, malonic acid di-tert-butyl ester, propanedioic acid, bis 1,1-dimethylethyl ester, di-t-butylmalonate, di-t-butyl malonate, unii-7e9xwt9380, 1,3-di-tert-butyl propanedioate, di tert-butyl malonate, tert-butyl 2-tert-butoxycarbonyl acetate, di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C

Ethyl isobutyrylacetate, 95%, ACROS Organics™

CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate, 4-methyl-3-oxo-pentanoic acid ethyl ester, pentanoic acid, 4-methyl-3-oxo-, ethyl ester, ethyl isobutyroylacetate, valeric acid, 4-methyl-3-oxo-, ethyl ester, .gamma.,.gamma.-dimethylacetoacetic acid ethyl ester, beta-keto-gamma-methylvaleric acid ethyl ester, ethyl alpha-isobutyroylacetate, ethylisobutyrylacetate, ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

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