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™ 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

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

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

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

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

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

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 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 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

tert.-Butyl methyl malonate, 95%, ACROS Organics™

CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: tert-butyl methyl malonate, t-butyl methyl malonate, 1-tert-butyl 3-methyl propanedioate, acmc-20ajkv, tert-butyl methylmalote, pubchem20476, methyl tert-butyl malonate, ksc493c8h, tert-butyl methyl malonaoate PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%, ACROS Organics™

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

Ethyl propionylacetate, 98+%, ACROS Organics™

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate, ethyl 3-oxovalerate, ethyl 3-oxo-n-valerate, pentanoic acid, 3-oxo-, ethyl ester, 3-oxopentanoic acid ethyl ester, 3-oxo-pentanoic acid ethyl ester, ethyl 3-ketopentanoate, 3-oxovaleric acid ethyl ester, propionylacetic acid ethyl ester, ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Alfa Aesar™ tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

Alfa Aesar™ Diethyl (2,4-dichlorophenyl)malonate, 95%

CAS: 111544-93-5 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.151 MDL Number: MFCD00831103 InChI Key: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonym: diethyl 2-2,4-dichlorophenyl malonate, diethyl 2,4-dichlorophenyl malonate, 1,3-diethyl 2-2,4-dichlorophenyl propanedioate, diethyl 2-2,4-dichlorophenyl propanedioate, diethyl 2,4-dichlorophenyl propanedioate, diethyl 2,4-dichlorophenylmalonate, 2-2,4-dichloro-phenyl-malonic acid diethyl ester, propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester PubChem CID: 2736112 IUPAC Name: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C1=C(C=C(C=C1)Cl)Cl)C(=O)OCC

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

Alfa Aesar™ Ethyl hydrogen malonate, 90+%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 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™ Dimethyl (1-ethylpropyl)malonate, 97%

CAS: 39520-19-9 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD08436116 InChI Key: LHJTVXUTWGDTQT-UHFFFAOYSA-N Synonym: dimethyl 1-ethylpropyl malonate, dimethyl 2-1-ethylpropyl malonate, acmc-20al7d, dimethyl diethylmethyl malonate, dimethyl pentan-3-yl propanedioate, 1-ethylpropyl malonic acid dimethyl ester, dimethyl 2-ethylpropyl propane-1,3-dioate, 1,3-dimethyl 2-pentan-3-yl propanedioate PubChem CID: 42552954 IUPAC Name: dimethyl 2-pentan-3-ylpropanedioate SMILES: CCC(CC)C(C(=O)OC)C(=O)OC

Alfa Aesar™ Ethyl potassium malonate, 98%

CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 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+]

Methylmalonic acid, 96%, ACROS Organics™

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: methylmalonic acid, 2-methylmalonic acid, isosuccinic acid, methylmalonate, propanedioic acid, methyl, 1,1-ethanedicarboxylic acid, malonic acid, methyl, methyl malonic acid, methylpropanedioic acid, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

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+]

tert-Butyl ethyl malonate, 97%, ACROS Organics™

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate, t-butyl ethyl malonate, propanedioic acid, 1,1-dimethylethyl ethyl ester, 1-tert-butyl 3-ethyl propanedioate, tert-butyl ethyl propanedioate, malonic acid tert-butyl ethyl ester, tert-butyl ethyl propane-1,3-dioate, zlchem 692, acmc-1cjju, 1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

Acetoacetamide, 97%, ACROS Organics™

CAS: 5977-14-0 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.105 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide, acetylacetamide, acetoacetic acid amide, butanamide, 3-oxo, 3-oxobutanamid, unii-6o9u7cfy0t, 6o9u7cfy0t, 3-oxobutyramide, acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N

Alfa Aesar™ Diethyl n-butylmalonate, 99%

CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate, diethyl n-butylmalonate, butylmalonic acid diethyl ester, diethyl 2-butylmalonate, ethyl butylmalonate, propanedioic acid, butyl-, diethyl ester, unii-cyy2q744wb, cyy2q744wb, n-butylmalonic acid diethyl ester, malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC

Alfa Aesar™ Dimethyl allylmalonate, 97%

CAS: 40637-56-7 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00014959 InChI Key: VZNFVLWVVHHMBG-UHFFFAOYSA-N Synonym: dimethyl allylmalonate, dimethyl 2-allylmalonate, propanedioic acid, 2-propenyl-, dimethyl ester, 1,3-dimethyl 2-prop-2-en-1-yl propanedioate, dimethyl allyl-malonate, acmc-1bnbn, dimethyl 2-allylmalonate #, 2-allyl-propanedioic acid dimethyl ester, 2-prop-2-enylpropanedioic acid dimethyl ester PubChem CID: 574826 IUPAC Name: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC

Dimethyl isobutylmalonate, 98%, ACROS Organics™

CAS: 39520-24-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00015640 InChI Key: GAZFDPSEEIVCEX-UHFFFAOYSA-N Synonym: dimethyl isobutylmalonate, dimethyl 2-isobutylmalonate, dimethylisobutylmalonate, propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester, propanedioic acid, 2-methylpropyl-, dimethyl ester, 1,3-dimethyl 2-2-methylpropyl propanedioate, malonic acid, isobutyl-, dimethyl ester, acmc-1ailj, dimethyl2-isobutylmalonate PubChem CID: 170218 IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate SMILES: CC(C)CC(C(=O)OC)C(=O)OC

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