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326178

1-Chlorocarbonyl-1-methylethyl acetate

Name: 1-Chlorocarbonyl-1-methylethyl acetate
Brand: ALDRICH

95%

Synonym(s):

α-Acetoxyisobutyryl chloride, 2-Acetoxy-2-methylpropionyl chloride

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About This Item

Linear Formula:

(CH₃)₂C(OCOCH₃)COCl

CAS Number:

40635-66-3

Molecular Weight:

164.59

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24859568

EC Number:

255-016-2

Beilstein/REAXYS Number:

507772

MDL number:

MFCD00000708

Assay:

95%

Form:

liquid

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Properties

Quality Level

100

assay

95%

form

liquid

refractive index

n20/D 1.428 (lit.)

bp

55-56 °C/6 mmHg (lit.)

density

1.136 g/mL at 25 °C (lit.)

functional group

acyl chloride, ester

SMILES string

CC(=O)OC(C)(C)C(Cl)=O

InChI

1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3

InChI key

RBTCRFLJLUNCLL-UHFFFAOYSA-N

Description

General description

Reaction of 1-chlorocarbonyl-1-methylethyl acetate with 1-aryl ethylene glycols to yield trans chlorohydrin acetates was reported.

Application

1-Chlorocarbonyl-1-methylethyl acetate was used in preparation of α,γ-dichloro alditols.

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Skin Corr. 1B

supp_hazards

EUH014

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

154.4 °F - closed cup

flash_point_c

68 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Efficient synthesis of some dichloroalditols: direct regioselective chlorination of some unprotected alditols by 1-chlorocarbonyl-1-methylethyl acetate.

Benazza M, et al.

Journal of Carbohydrate Chemistry, 13(7), 967-979 (1994)

Highly diastereoselective synthesis of nucleoside adducts from the carcinogenic benzo[a]pyrene diol epoxide and a computational analysis.

Mahesh K Lakshman et al.

Journal of the American Chemical Society, 129(1), 68-76 (2007-01-04)

A diastereoselective synthesis of the nucleoside adducts corresponding to a cis ring-opening of the carcinogen (+/-)-7 beta, 8 alpha-dihydroxy-9 alpha,10 alpha-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (BaP DE-2) by 2'-deoxyadenosine and 2'-deoxyguanosine is described. The key intermediate (+/-)-10alpha-amino-7beta,8alpha,9alpha-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene was synthesized by a highly diastereoselective dihydroxylation

Global Trade Item Number

SKU	GTIN
326178-25G	04061836684372
326178-5G	04061836676636