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437948

2-Chloro-1,1,1-trimethoxyethane

97%

Synonym(s):

Trimethyl chloro-orthoacetate

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About This Item

Linear Formula:
ClCH2C(OCH3)3
CAS Number:
74974-54-2
Molecular Weight:
154.59
NACRES:
NA.22
PubChem Substance ID:
24867410
UNSPSC Code:
12352100
MDL number:
MFCD00216629
Assay:
97%
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Quality Level

100

assay

97%

refractive index

n20/D 1.425 (lit.)

bp

138 °C (lit.)

density

1.147 g/mL at 25 °C (lit.)

functional group

chloro, ether

SMILES string

COC(CCl)(OC)OC

InChI

1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3

InChI key

NPEIUNVTLXEOLT-UHFFFAOYSA-N

General description

2-Chloro-1,1,1-trimethoxyethane is a chloromethyl heterocyclic compound. It participates in the synthesis of 2-phenyl-1,3,4-oxadiazole derivatives.

Application

2-Chloro-1,1,1-trimethoxyethane may be used for the synthesis of chlorotriazolinone, an NK1 antagonist and 2-chloromethyl-7-[3-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCM5681
MKCP3656
MKCP3655
MKCP3654
MKCM5682

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Elfatih Elzein et al.
Bioorganic & medicinal chemistry letters, 14(24), 6017-6021 (2004-11-18)
New inhibitors of palmitoyl-CoA oxidation are based on the introduction of nitrogen heterocycles in the 'Western Portion' of the molecule. SAR studies led to the discovery of CVT-4325 (shown), a potent FOXi (IC50=380 nM rat mitochondria) with favorable PK properties
Daisy van Veghel et al.
ACS chemical neuroscience, 4(4), 624-634 (2013-02-21)
The transient receptor potential vanilloid subfamily member 1 (TRPV1) cation channel is known to be involved in pain nociception and neurogenic inflammation, and accumulating evidence suggests that it plays an important role in several central nervous system (CNS)-related disorders. TRPV1-specific
A new synthesis of 1, 2, 4-triazolin-5-ones: application to the convergent synthesis of an NK 1 antagonist.
Cowden CJ, et al.
Tetrahedron Letters, 41(44), 8661-8664 (2000)

Global Trade Item Number

SKUGTIN
437948-5ML04061837015106
437948-25ML04061837015090