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About This Item
Linear Formula:
ClC6H4(CO)2C6H3(OCH3)2
CAS Number:
Molecular Weight:
304.73
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
2-Chloro-3′,4′-dimethoxybenzil, 97%
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
SMILES string
COc1ccc(cc1OC)C(=O)C(=O)c2ccccc2Cl
InChI key
ULVSCSFZMZRZHJ-UHFFFAOYSA-N
assay
97%
mp
119-123 °C (lit.)
functional group
chloro
ketone
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
Related Categories
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.
General description
2-Chloro-3′,4′-dimethoxybenzil (CDMB, o-chlorobenzveratroin) is a specific inhibitor of human carboxylesterase-2 (hCE-2).
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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
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)
Microwave-Assisted Synthesis of Functionalized Shvo-Type Complexes.
Cesari C, et al.
Organometallics, 33(11), 2814-2819 (2014)
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