1,3-dicarbonyl compounds

Malonyl Chloride 97.0+%, TCI America™

CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonic acid chloride, malonic acid dichloride, malonoyl chloride, malonoyl dichloride, malonyl chloride, malonyl dichloride, malonylchlorid, malonylchloride, malonyldichloride, methane-1,1-dicarbonyl chloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl

Methyl 2-cyclopentanonecarboxylate, 96%, ACROS Organics™

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: 2-carbmethoxycyclopentanone, 2-methoxy carbonyl cyclopentanone, 2-methoxycarbonylcyclopentanone, 2-oxocyclopentanecarboxylic acid methyl ester, cyclopentanecarboxylic acid, 2-oxo-, methyl ester, cyclopentanone-2-carboxylic acid methyl ester, mehyl-2-oxocyclopentane, methyl 2-cyclopentanonecarboxylate, methyl 2-oxocyclopentanecarboxylate, methyl cyclopentanone-2-carboxylate PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

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: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Malonic Acid, TCI America™

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

Ethyl 2-Formylpropionate 97.0+%, TCI America™

CAS: 27772-62-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00044012 InChI Key: VVCYNVCCODBCOE-UHFFFAOYSA-N Synonym: 2-Formylpropionic Acid Ethyl Ester PubChem CID: 10898741 IUPAC Name: ethyl 2-methyl-3-oxopropanoate SMILES: CCOC(=O)C(C)C=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: 1,3-diethyl propanedioate, carbethoxyacetic ester, dicarbethoxymethane, diethyl malonate, ethyl malonate van, ethyl propanedioate, malonic acid diethyl ester, malonic acid, diethyl ester, malonic ester, propanedioic acid, diethyl ester PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Allyl Acetoacetate 95.0+%, TCI America™

CAS: 1118-84-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00009811 InChI Key: AXLMPTNTPOWPLT-UHFFFAOYSA-N Synonym: 2-propenyl 3-oxobutanoate, ac-allyl, acetoacetic acid allyl ester, acetoacetic acid, allyl ester, allyl 3-oxobutanoate, allyl acetoacetate, allyl acetylacetate, butanoic acid, 3-oxo-, 2-propenyl ester, prop-2-en-1-yl 3-oxobutanoate, unii-8hx066j62p PubChem CID: 70701 IUPAC Name: prop-2-enyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC=C

Alfa Aesar™ Malonic acid, Reagent Grade, 99.5+%

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

Malonic acid, 99%, ACROS Organics™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 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: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

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: 1-tert-butyl 3-methyl propanedioate, acmc-20ajkv, ksc493c8h, methyl tert-butyl malonate, pubchem20476, t-butyl methyl malonate, tert-butyl methyl malonaoate, tert-butyl methyl malonate, tert-butyl methylmalote PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC

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: 1-tert-butyl 3-ethyl propanedioate, 1-tert-butyl ethyl malonate, acmc-1cjju, malonic acid tert-butyl ethyl ester, propanedioic acid, 1,1-dimethylethyl ethyl ester, t-butyl ethyl malonate, tert-butyl ethyl malonate, tert-butyl ethyl propane-1,3-dioate, tert-butyl ethyl propanedioate, zlchem 692 PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

N-Benzylacetoacetamide 98.0+%, TCI America™

CAS: 882-36-0 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 InChI Key: KOHNUEXAOQRRPI-UHFFFAOYSA-N Synonym: N-Acetoacetylbenzylamine PubChem CID: 70159 IUPAC Name: N-benzyl-3-oxobutanamide SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1

tert-Butyl Ethyl Malonate 95.0+%, TCI America™

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: 1-tert-butyl 3-ethyl propanedioate, 1-tert-butyl ethyl malonate, acmc-1cjju, malonic acid tert-butyl ethyl ester, propanedioic acid, 1,1-dimethylethyl ethyl ester, t-butyl ethyl malonate, tert-butyl ethyl malonate, tert-butyl ethyl propane-1,3-dioate, tert-butyl ethyl propanedioate, zlchem 692 PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

2-Bromomalonaldehyde, 97+%, ACROS Organics™

CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.95 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromo-1,3-propanedial, 2-bromo-malonaldehyde, 2-bromomalonaldehyde, 2-bromomalondialdehyde, bromo-malonaldehyde, bromomalonaldehyde, bromomalondialdehyde, malonaldehyde, bromo, propanedial, bromo, zlchem 220 PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br

Ethyl Acetoacetate 98.0+%, TCI America™

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

N,N-Diethylacetoacetamide 98.0+%, TCI America™

CAS: 2235-46-3 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00026728 InChI Key: NTMXFHGYWJIAAE-UHFFFAOYSA-N Synonym: 1-diethylcarbamoyl-2-propanone, acetoacetamide, n,n-diethyl, acetoacetdiethylamide, butanamide, n,n-diethyl-3-oxo, diethylacetoacetamide, diethylamid kyseliny acetoctove, diethylamid kyseliny acetoctove czech, n,n-diethyl-3-oxobutyramide, n,n-diethylacetoacetamide, n,n-diethylacetylacetamide PubChem CID: 16699 IUPAC Name: N,N-diethyl-3-oxobutanamide SMILES: CCN(CC)C(=O)CC(=O)C

Alfa Aesar™ Diethyl sec-butylmalonate, 96%

CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-sec-butyl propanedioate, acmc-209prt, diethyl 1-methylpropyl malonate, diethyl 1-methylpropylmalonate, diethyl 2-sec-butyl malonate, diethyl s-butylmalonate, diethyl sec-butylmalonate, diethylsec-butylmalonate, sec-butylmalonic acid diethyl ester, sec-butylmalonic acid, diethyl ester PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC

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: 1,5-diethyl 3-oxopentanedioate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester, diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, diethyl acetone dicarboxylate, diethyl acetone-1,3-dicarboxylate, ethyl 3-oxoglutarate, ethyl acetonedicarboxylate, pentanedioic acid, 3-oxo-, diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Monoethyl Potassium Malonate 98.0+%, TCI America™

CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl malonate potassium salt, ethyl potassium malonate, ethylpotassiummalonate, malonic acid monoethyl ester potassium salt, monoethyl malonate potassium salt, monoethyl potassium malonate, potassium 3-ethoxy-3-oxopropanoate, potassium ethyl malonate, potassium monoethyl malonate, propanedioic acid, monoethyl ester, potassium salt PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

Diethyl Isobutylmalonate 98.0+%, TCI America™

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

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: 1,3-diethyl propanedioate, carbethoxyacetic ester, dicarbethoxymethane, diethyl malonate, ethyl malonate van, ethyl propanedioate, malonic acid diethyl ester, malonic acid, diethyl ester, malonic ester, propanedioic acid, diethyl ester PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Methylmalonic Acid 98.0+%, TCI America™

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: 1,1-ethanedicarboxylic acid, 2-methylmalonic acid, isosuccinic acid, malonic acid, methyl, methyl malonic acid, methylmalonate, methylmalonic acid, methylpropanedioic acid, propanedioic acid, methyl, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

Ethyl 2-Amylacetoacetate 95.0+%, TCI America™

CAS: 24317-94-0 Molecular Formula: C11H20O3 Molecular Weight (g/mol): 200.278 MDL Number: MFCD00059380 InChI Key: XIGZBCUFFUBWDM-UHFFFAOYSA-N Synonym: 2-Acetylheptanoic Acid Ethyl Ester, 2-Amylacetoacetic Acid Ethyl Ester, Ethyl 2-Acetylheptanoate PubChem CID: 91162 IUPAC Name: ethyl 2-acetylheptanoate SMILES: CCCCCC(C(=O)C)C(=O)OCC

Diethyl 2-Propynylmalonate 97.0+%, TCI America™

CAS: 17920-23-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00091967 InChI Key: FKXOELIKVUIBLP-UHFFFAOYSA-N Synonym: 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester PubChem CID: 28835 IUPAC Name: diethyl 2-prop-2-ynylpropanedioate SMILES: CCOC(=O)C(CC#C)C(=O)OCC

Alfa Aesar™ tert-Butyl ethyl malonate, 95%

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: 1-tert-butyl 3-ethyl propanedioate, 1-tert-butyl ethyl malonate, acmc-1cjju, malonic acid tert-butyl ethyl ester, propanedioic acid, 1,1-dimethylethyl ethyl ester, t-butyl ethyl malonate, tert-butyl ethyl malonate, tert-butyl ethyl propane-1,3-dioate, tert-butyl ethyl propanedioate, zlchem 692 PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

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: 1,1-ethanedicarboxylic acid, 2-methylmalonic acid, isosuccinic acid, malonic acid, methyl, methyl malonic acid, methylmalonate, methylmalonic acid, methylpropanedioic acid, propanedioic acid, methyl, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

Ethyl 2-Benzylacetoacetate 97.0+%, TCI America™

CAS: 620-79-1 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00009156 InChI Key: XDWQYMXQMNUWID-UHFFFAOYSA-N Synonym: 2-benzylacetoacetate, 2-benzylacetoacetic acid ethyl ester, ethyl .alpha.-benzylacetoacetate, ethyl 2-acetyl-3-phenylpropionate, ethyl 2-benzylacetoacetate, ethyl 3-oxo-2-benzylbutanoate, ethyl alpha-acetylhydrocinnamate, ethyl alpha-benzylacetoacetate, ethyl benzyl acetoacetate, ethyl benzylacetoacetate PubChem CID: 246929 IUPAC Name: ethyl 2-benzyl-3-oxobutanoate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C

Alfa Aesar™ Diethyl n-propylmalonate, 99%

CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-propylpropanedioate, diethyl 2-propylmalonate, diethyl n-propylmalonate, diethyl propyl malonate, diethyl propylmalonate, diethyl-n-propylmalonate, diethylpropylmalonate, malonic acid, propyl-, diethyl ester, propanedioic acid, propyl-, diethyl ester, propylmalonic acid diethyl ester PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(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: 1,3-dimethyl 2-prop-2-en-1-yl propanedioate, 2-allyl-propanedioic acid dimethyl ester, 2-prop-2-enylpropanedioic acid dimethyl ester, acmc-1bnbn, dimethyl 2-allylmalonate, dimethyl 2-allylmalonate #, dimethyl allyl-malonate, dimethyl allylmalonate, propanedioic acid, 2-propenyl-, dimethyl ester PubChem CID: 574826 IUPAC Name: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC

  spinner