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126349 Sigma-Aldrich

(3,4-Dimethoxyphenyl)acetonitrile

98%

Synonym: (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide, Homoveratronitrile

  • CAS Number 93-17-4

  • Linear Formula (CH3O)2C6H3CH2CN

  • Molecular Weight 177.20

  •  Beilstein/REAXYS Number 1956100

  •  EC Number 202-225-1

  •  MDL number MFCD00001911

  •  PubChem Substance ID 24847718

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Properties

Related Categories Alphabetical, Biochemicals and Reagents, Building Blocks, C10 to C27, Chemical Synthesis,
Quality Level   100
assay   98%
bp   171-178 °C/10 mmHg (lit.)
mp   62-63.5 °C (lit.)
fluorescence   λex 430 nm; λem 511 nm (pH 7.1)
SMILES string   COc1ccc(CC#N)cc1OC
InChI   1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
InChI key   ASLSUMISAQDOOB-UHFFFAOYSA-N

Description

Application

(3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization.

Packaging

100, 500 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
RTECS 
AL9325000
Flash Point(F) 
482.0 °F - closed cup
Flash Point(C) 
250 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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