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234184

Methyl phenylsulfonylacetate

Name: Methyl phenylsulfonylacetate
Brand: ALDRICH

97%

Synonym(s):

Methyl benzenesulfonylacetate

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About This Item

Linear Formula:

C₆H₅SO₂CH₂COOCH₃

CAS Number:

34097-60-4

Molecular Weight:

214.24

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24854027

MDL number:

MFCD00007555

Beilstein/REAXYS Number:

2051463

Assay:

97%

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Properties

assay

97%

refractive index

n20/D 1.535 (lit.)

bp

165 °C/0.05 mmHg (lit.)

density

1.305 g/mL at 20 °C (lit.)

functional group

ester, sulfone

SMILES string

COC(=O)CS(=O)(=O)c1ccccc1

InChI

1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI key

NLEAIFBNKPYTGN-UHFFFAOYSA-N

Gene Information

human ... LOC129293(129293)

Description

Application

Methyl phenylsulfonylacetate has been used:

in a key step during the synthesis of (−)-hybridalactone, marine eicosanoid isolated from the red alga Laurencia hybrida
in dehydrative alkylation of alcohols under modified Mitsunobu conditions followed by desulfonylation using magnesium
in three step synthesis of 2-(hydroxymethyl)indene

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

172.4 °F - closed cup

flash_point_c

78 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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An improved synthesis of 2-(hydroxymethyl) indene.

Palandoken H, et al.

Organic Prep. and Proc. Int., 28(6), 702-704 (1996)

Total synthesis of marine eicosanoid (-)-hybridalactone.

Koichiro Ota et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 18(42), 13531-13537 (2012-09-12)

(-)-Hybridalactone (1) is a marine eicosanoid isolated from the red alga Laurencia hybrida. This natural product contains cyclopropane, cyclopentane, 13-membered macrolactone and epoxide ring systems incorporating seven stereogenic centers. Moreover, this compound has an acid-labile skipped Z,Z-diene motif. In this

Methyl Carboxymethylenation of Alcohols via Dehydrative Alkylation.

YuJ, et al.

Synlett, 1995(11), 1127-1128 (1995)

Global Trade Item Number

SKU	GTIN
234184-10G	04061837803680