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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.
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1
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3-Coumaranone, 97%

CAS: 7169-34-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00051810 InChI Key: MGKPCLNUSDGXGT-UHFFFAOYSA-N Synonym: benzofuran-3 2h-one,3-coumaranone,3 2h-benzofuranone,1-benzofuran-3 2h-one,coumaranone,benzofuran-3-one,coumaran-3-one,2,3-dihydrobenzo b furan-3-one,2,3-dihydro-1-benzofuran-3-one,2h-benzofuran-3-one PubChem CID: 23556 IUPAC Name: 1-benzofuran-3-one SMILES: O=C1COC2=CC=CC=C12

PubChem CID 23556
CAS 7169-34-8
Molecular Weight (g/mol) 134.13
MDL Number MFCD00051810
SMILES O=C1COC2=CC=CC=C12
Synonym benzofuran-3 2h-one,3-coumaranone,3 2h-benzofuranone,1-benzofuran-3 2h-one,coumaranone,benzofuran-3-one,coumaran-3-one,2,3-dihydrobenzo b furan-3-one,2,3-dihydro-1-benzofuran-3-one,2h-benzofuran-3-one
IUPAC Name 1-benzofuran-3-one
InChI Key MGKPCLNUSDGXGT-UHFFFAOYSA-N
Molecular Formula C8H6O2
2

(2-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™

CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl

PubChem CID 2734201
CAS 40018-25-5
Molecular Weight (g/mol) 179.603
MDL Number MFCD00051624
SMILES C1=CC=C(C(=C1)C(=O)CC#N)Cl
Synonym 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle
IUPAC Name 3-(2-chlorophenyl)-3-oxopropanenitrile
InChI Key SBSWHTFHLWSSQS-UHFFFAOYSA-N
Molecular Formula C9H6ClNO
3

1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 90+%, Thermo Scientific™

CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.12 MDL Number: MFCD03659698 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 SMILES: BrCC(=O)C1=NC2=CC=CC=C2S1

PubChem CID 2776256
CAS 54223-20-0
Molecular Weight (g/mol) 256.12
MDL Number MFCD03659698
SMILES BrCC(=O)C1=NC2=CC=CC=C2S1
Synonym 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole
InChI Key AYWGYNKWZWBMSV-UHFFFAOYSA-N
Molecular Formula C9H6BrNOS
4
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1-Indanone, 99+%

CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00003785 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21

PubChem CID 6735
CAS 83-33-0
Molecular Weight (g/mol) 132.162
ChEBI CHEBI:17404
MDL Number MFCD00003785
SMILES C1CC(=O)C2=CC=CC=C21
Synonym 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone
IUPAC Name 2,3-dihydroinden-1-one
InChI Key QNXSIUBBGPHDDE-UHFFFAOYSA-N
Molecular Formula C9H8O
5
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Benzil, 99+%

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8651
CAS 134-81-6
Molecular Weight (g/mol) 210.23
ChEBI CHEBI:51507
MDL Number MFCD00003080
SMILES O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon
IUPAC Name 1,2-diphenylethane-1,2-dione
InChI Key WURBFLDFSFBTLW-UHFFFAOYSA-N
Molecular Formula C14H10O2
6
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1-Indanone, 99+%

CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21

PubChem CID 6735
CAS 83-33-0
Molecular Weight (g/mol) 132.16
ChEBI CHEBI:17404
SMILES C1CC(=O)C2=CC=CC=C21
Synonym 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone
IUPAC Name 2,3-dihydroinden-1-one
InChI Key QNXSIUBBGPHDDE-UHFFFAOYSA-N
Molecular Formula C9H8O
7
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1-Bromo-2-butanone, tech. 90%, stab. with calcium carbonate, Thermo Scientific Chemicals

CAS: 816-40-0 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.003 MDL Number: MFCD00000207 InChI Key: CCXQVBSQUQCEEO-UHFFFAOYSA-N Synonym: 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one PubChem CID: 13156 IUPAC Name: 1-bromobutan-2-one SMILES: CCC(=O)CBr

PubChem CID 13156
CAS 816-40-0
Molecular Weight (g/mol) 151.003
MDL Number MFCD00000207
SMILES CCC(=O)CBr
Synonym 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one
IUPAC Name 1-bromobutan-2-one
InChI Key CCXQVBSQUQCEEO-UHFFFAOYSA-N
Molecular Formula C4H7BrO
8
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2',5'-Dimethoxyacetophenone, 99%

CAS: 1201-38-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008728 InChI Key: FAXUIYJKGGUCBO-UHFFFAOYSA-N Synonym: 2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430 PubChem CID: 70991 IUPAC Name: 1-(2,5-dimethoxyphenyl)ethanone SMILES: COC1=CC=C(OC)C(=C1)C(C)=O

PubChem CID 70991
CAS 1201-38-3
Molecular Weight (g/mol) 180.20
MDL Number MFCD00008728
SMILES COC1=CC=C(OC)C(=C1)C(C)=O
Synonym 2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430
IUPAC Name 1-(2,5-dimethoxyphenyl)ethanone
InChI Key FAXUIYJKGGUCBO-UHFFFAOYSA-N
Molecular Formula C10H12O3
9
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Ethyl 4-chloroacetoacetate, 98%

CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl

PubChem CID 69484
CAS 638-07-3
Molecular Weight (g/mol) 164.59
MDL Number MFCD00000939
SMILES CCOC(=O)CC(=O)CCl
Synonym ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate
IUPAC Name ethyl 4-chloro-3-oxobutanoate
InChI Key OHLRLMWUFVDREV-UHFFFAOYSA-N
Molecular Formula C6H9ClO3
10

Sigma Aldrich 2,4,6-Trichloropyrimidine

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 3764-01-0
11

Sigma Aldrich 2'-Hydroxyacetophenone

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 213°C (717 mmHg)
Linear Formula HOC6H4COCH3
Molecular Weight (g/mol) 136.15
Density 1.133 g/mL at 20°C, 1.131 g/mL (at 25°C (literature))
Percent Purity 99%
CAS 118-93-4
MDL Number MFCD00002219
Refractive Index n20/D 1.558 (literature)
Synonym 2-Acetylphenol
RTECS Number AM8575000
Recommended Storage Room Temperature
Molecular Formula C8H8O2
EINECS Number 204-288-0
Melting Point 3°C to 6°C (lit.)
12

Matrix Scientific 1-(1,3-BENZOTHIAZOL-2-YL)-2--1

1-(1,3-benzothiazol-2-yl)-2-bromo-1-ethanone Mf C9h6brnos Mw 256.13 Cas 54223-20-0

ENCOMPASS_PREFERRED
13

Medchemexpress LLC N6-[(2E)-1-oxo-2-buten-1-yl]-L-lysine | 1338823-35-0 | MFCD22381072 | 99.4% | 214.26 g/mol | C10H18N2O3 | 1 G
SDP

N6-(But-2-enoyl)-L-lysine is a chemically modified lysine derivative supplied as a solid powder for research use. It has a defined molecular formula, molecular weight, and high purity, with recommended storage conditions to maintain stability.

  • CAS number: 1338823-35-0.
  • Molecular formula: C10H18N2O3.
  • Molecular weight: 214.26 g/mol.
  • Purity: 99.43%.
  • Available sizes: 100 mg, 250 mg, 500 mg, 1 g, 5 g, 10 g.
  • Appearance: white to off-white solid powder.
  • Recommended storage: powder at -20°C (3 years) or 4°C (2 years); in solvent at -80°C (6 months) or -20°C (1 month).
  • Intended for research use only.

ENCOMPASS_PREFERRED
14

Medchemexpress LLC L-lysine, N6-(1-oxo-2-buten-1-yl)- | 1338823-35-0 | MFCD22381072 | 99.4% | 214.26 | C10H18N2O3 | 100 MG
SDP

N6-(But-2-enoyl)-L-lysine is a lysine derivative supplied as a white to off-white solid for research use in biochemical and pharmacological studies. It has been characterized by CAS number, molecular formula, and molecular weight, and is provided with a certificate of analysis to support its stated purity and storage recommendations.

  • chemical identity: N6-(but-2-enoyl)-L-lysine, CAS 1338823-35-0.
  • molecular formula: C10H18N2O3; molecular weight: 214.26 g/mol.
  • appearance: white to off-white solid; powder form for easy handling.
  • purity: high purity suitable for research applications (reported 99.43%).
  • storage: powder: -20°C for long-term (3 years) or 4°C for short-term (2 years); in solvent: -80°C for 6 months.
  • solubility: soluble in water (approx. 17.5 mg/mL with ultrasonication).
  • packaging: supplied in research-scale quantities (e.g., 100 mg) with COA documentation.

ENCOMPASS_PREFERRED
15

Fisher Scientific Acetophenone (Certified ACS), Fisher Chemical

CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

PubChem CID 7410
CAS 98-86-2
Molecular Weight (g/mol) 120.151
ChEBI CHEBI:27632
MDL Number MFCD00008724
SMILES CC(=O)C1=CC=CC=C1
Synonym acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name 1-phenylethanone
InChI Key KWOLFJPFCHCOCG-UHFFFAOYSA-N
Molecular Formula C8H8O