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326178

Sigma-Aldrich

1-Chlorocarbonyl-1-methylethyl acetate

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
Beilstein:
507772
EC Number:
255-016-2
MDL number:
MFCD00000708
UNSPSC Code:
12352100
PubChem Substance ID:
24859568
NACRES:
NA.22

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.)

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

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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

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Supplementary Hazards

EUH014

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

154.4 °F - closed cup

Flash Point(C)

68 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

326178-25G:
326178-VAR:
326178-5G:
326178-BULK:

Certificates of Analysis (COA)

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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
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)

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