542229

Sigma-Aldrich

2-Chloro-3′,4′-dimethoxybenzil

97%

Synonym(s):
1-(2-Chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
Linear Formula:
ClC6H4(CO)2C6H3(OCH3)2
CAS Number:
Molecular Weight:
304.73
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

119-123 °C (lit.)

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)

Related Categories

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.

Packaging

25 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis
Certificate of Origin
2-(2-Chlorophenyl)-3-(3, 4-dimethoxyphenyl) quinoxaline.
Cantalupo SA, et al.
Acta Crystallographica Section E, Structure Reports Online, 66(8), o2184-o2184 (2010)
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)
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...

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