126349

(3,4-Dimethoxyphenyl)acetonitrile

98%

• Synonym(s): Homoveratronitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide
• Linear Formula: (CH₃O)₂C₆H₃CH₂CN
• CAS Number: 93-17-4
• Molecular Weight: 177.20
• Beilstein/REAXYS Number: 1956100
• EC Number: 202-225-1
• MDL number: MFCD00001911
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847718
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: solid
• bp: 171-178 °C/10 mmHg (lit.)
• mp: 62-63.5 °C (lit.)
• fluorescence: λ_ex 430 nm; λ_em 511 nm (pH 7.1)
• functional group: nitrile
• 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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: 482.0 °F - closed cup
• flash_point_c: 250 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves