234184
Methyl phenylsulfonylacetate
97%
Synonym(s):
Methyl benzenesulfonylacetate
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About This Item
Linear Formula:
C6H5SO2CH2COOCH3
CAS Number:
Molecular Weight:
214.24
Beilstein:
2051463
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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)
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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 Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
172.4 °F - closed cup
Flash Point(C)
78 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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