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

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

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

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

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

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

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

Alfa Aesar™ Dimethyl (2-methylbutyl)malonate, 97%

CAS: 59107-99-2 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD08436117 InChI Key: NYHSCTJAXMPYJG-UHFFFAOYSA-N Synonym: dimethyl 2-methylbutyl malonate, dimethyl 2-2-methylbutyl malonate, dimethyl 2-methylbutyl propanedioate, dimethyl 2-2-methylbutyl propanedioate, 2-methylbutyl malonic acid dimethyl ester, 1,3-dimethyl 2-2-methylbutyl propanedioate PubChem CID: 46779063 IUPAC Name: dimethyl 2-(2-methylbutyl)propanedioate SMILES: CCC(C)CC(C(=O)OC)C(=O)OC

Alfa Aesar™ Diethyl acetylsuccinate, 97+%

CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate, diethyl acetylsuccinate, ethyl acetylsuccinate, diethyl acetosuccinate, butanedioic acid, acetyl-, diethyl ester, acetylsuccinic acid diethyl ester, diethylacetylsuccinate, 1,4-diethyl 2-acetylbutanedioate, succinic acid, acetyl-, diethyl ester, butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC

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

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™ Diethyl 2-(2-cyanoethyl)malonate, 98+%

CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N Synonym: diethyl 2-2-cyanoethyl malonate, diethyl 2-cyanoethyl malonate, 1,3-diethyl 2-2-cyanoethyl propanedioate, diethyl2-2-cyanoethyl malonate, diethyl 2-2-cyanoethyl-malonate, propanedioic acid, 2-cyanoethyl-, diethyl ester, 2-cyanoethylmalonic acid diethylester, diethyl 2-2-cyanoethyl propane-1,3-dioate, pubchem14162 PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC

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™ Ethyl propionylacetate, 95%

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™ Diethyl benzylmalonate, 97%

CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate, diethyl 2-benzylmalonate, benzylmalonic acid diethyl ester, propanedioic acid, phenylmethyl-, diethyl ester, unii-40y0x0xn6p, malonic acid, benzyl-, diethyl ester, malonic acid, 2-benzyl-, diethyl ester, diethyl benzyl malonate, 1,3-diethyl 2-benzylpropanedioate, diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

Alfa Aesar™ Methyl 2-oxocyclopentanecarboxylate, 97%

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate, methyl 2-cyclopentanonecarboxylate, 2-carbmethoxycyclopentanone, methyl cyclopentanone-2-carboxylate, cyclopentanecarboxylic acid, 2-oxo-, methyl ester, 2-methoxy carbonyl cyclopentanone, 2-methoxycarbonylcyclopentanone, 2-oxocyclopentanecarboxylic acid methyl ester, cyclopentanone-2-carboxylic acid methyl ester, mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

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™ Diethyl isobutylmalonate, 98%

CAS: 10203-58-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00026869 InChI Key: OFRFGNSZCYDFOH-UHFFFAOYSA-N Synonym: diethyl isobutylmalonate, isobutylmalonic acid diethyl ester, diethyl 2-isobutylmalonate, propanedioic acid, 2-methylpropyl-, diethyl ester, malonic acid, isobutyl-, diethyl ester, diethyl 2-2-methylpropyl propanedioate, ethyl 2-carbethoxy-4-methyl pentanoate, propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester, 1,3-diethyl 2-2-methylpropyl propanedioate, diethylisobutylmalonate PubChem CID: 25047 IUPAC Name: diethyl 2-(2-methylpropyl)propanedioate SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC

Di-tert-butyl malonate, 98%, ACROS Organics™

CAS: 541-16-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 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

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

Alfa Aesar™ Ethyl 4,4-dimethyl-3-oxovalerate, 97%

CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate, ethyl 4,4,4-trimethylacetoacetate, ethyl 4,4-dimethyl-3-oxovalerate, 4,4-dimethyl-3-oxovaleric acid ethyl ester, pivaloylacetic acid ethyl ester, ethyl 4,4-dimethyl-3-oxo-pentanoate, pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester, 4,4-dimethyl-3-oxo-pentanoic acid ethyl ester, ethylpivaloylacetate, pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C

Alfa Aesar™ tert-Butyl methyl malonate, 95%

CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 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

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