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  8. 3,4-Dimethoxyphenylacetonitrile, 98%

3,4-Dimethoxyphenylacetonitrile, 98%

Catalog No. AAA1200336
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Description

CAS: 93-17-4 | C10H11NO2 | 177.203 g/mol

It is employed as an intermediate in the preparation of the muscle relaxant papverin. 3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile1. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is employed as an intermediate in the preparation of the muscle relaxant papverin. 3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile1. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization.

Solubility
Insoluble in water. Soluble in methanol.

Notes
Store in cool place. Keep away from oxidizing agents.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 93-17-4
Molecular Formula C10H11NO2
Molecular Weight (g/mol) 177.203
MDL Number MFCD00001911
InChI Key ASLSUMISAQDOOB-UHFFFAOYSA-N
Synonym 3,4-dimethoxyphenylacetonitrile, 3,4-dimethoxyphenyl acetonitrile, homoveratronitrile, 3,4-dimethoxybenzyl cyanide, veratryl cyanide, 2-3,4-dimethoxyphenyl acetonitrile, 3,4-dimethoxybenzeneacetonitrile, benzeneacetonitrile, 3,4-dimethoxy, unii-62c8s706sp, 3,4-dimethoxy phenylacetonitrile
PubChem CID 66727
IUPAC Name 2-(3,4-dimethoxyphenyl)acetonitrile
SMILES COC1=C(C=C(C=C1)CC#N)OC

Specifications

Melting Point 62°C to 65°C
Boiling Point 177°C to 178°C (10 mmHg)
Odor Characteristic
Quantity 500 g
Beilstein 1956100
Solubility Information Insoluble in water. Soluble in methanol.
Formula Weight 177.2
Percent Purity 98%
Chemical Name or Material 3,4-Dimethoxyphenylacetonitrile

Safety and Handling

Hazard Category H301+H311+H331
Hazard Statement GHS H Statement
H302-H312
Harmful if swallowed.
Harmful in contact with skin.
Precautionary Statement P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P501c
DOTInformation Hazard Class: 6.1; Packaging Group: III
EINECSNumber 202-225-1
RTECSNumber AL9325000
TSCA No
Recommended Storage Ambient temperatures
SDS

RUO – Research Use Only

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