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542229

Sigma-Aldrich

2-Chloro-3′,4′-dimethoxybenzil

97%

Synonym(s):

1-(2-Chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione

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About This Item

Linear Formula:
ClC6H4(CO)2C6H3(OCH3)2
CAS Number:
56159-70-7
Molecular Weight:
304.73
MDL number:
MFCD00037469
UNSPSC Code:
12352100
PubChem Substance ID:
24878591
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

119-123 °C (lit.)

functional group

chloro
ketone

SMILES string

COc1ccc(cc1OC)C(=O)C(=O)c2ccccc2Cl

InChI

1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3

InChI key

ULVSCSFZMZRZHJ-UHFFFAOYSA-N

Gene Information

human ... ACHE(43) , BCHE(590) , CES1(1066)

General description

2-Chloro-3′,4′-dimethoxybenzil (CDMB, o-chlorobenzveratroin) is a specific inhibitor of human carboxylesterase-2 (hCE-2).

Application

2-Chloro-3′,4′-dimethoxybenzil (2-Chloro-3,4-dimethoxybenzil) may be used in the synthesis of 2-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)quinoxaline and 3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-2,5-diphenylcyclopenta-2,4-dienone.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
12519MI

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Quan-Gang Zhu et al.
Biological & pharmaceutical bulletin, 30(3), 532-536 (2007-03-03)
There is increasing evidence that epidermal carboxylesterase may be involved in the stereoselective hydrolysis of prodrugs in percutaneous absorption. The present study was designed to evaluate the stereoselective characteristics and mechanisms of ketoprofen ethyl ester hydrolysis by epidermal carboxylesterase expressed
Microwave-Assisted Synthesis of Functionalized Shvo-Type Complexes.
Cesari C, et al.
Organometallics, 33(11), 2814-2819 (2014)
Mixed benzoins. Ix. Meso chloro derivatives.
Buck JS and Ide WS.
Journal of the American Chemical Society, 54(11), 4359-4365 (1932)
2-(2-Chlorophenyl)-3-(3, 4-dimethoxyphenyl) quinoxaline.
Cantalupo SA, et al.
Acta Crystallographica Section E, Structure Reports Online, 66(8), o2184-o2184 (2010)

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