3,4-Dimethoxyphenylacetonitrile, 98%

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.

Specifications

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

• Melting Point: 62°C to 65°C
• Boiling Point: 177°C to 178°C (10 mmHg)
• Odor: Characteristic
• Quantity: 25 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