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(3,4-Dimethoxyphenyl)acetonitrile

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(3,4-Dimethoxyphenyl)acetonitrile Basic information

Product Name:
(3,4-Dimethoxyphenyl)acetonitrile
Synonyms:
  • 3,4-Dimethoxylphenylacetonitrile
  • (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide, Homoveratronitrile
  • (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide
  • 3,4-dimethoxy-benzeneacetonitril
  • 3,4-dimethoxybenzeneacetonitrile
  • 3,4-dimethoxybenzyl
  • 3,4-dimethoxyphenyl-acetonitril
  • Acetonitrile, (3,4-dimethoxyphenyl)-
CAS:
93-17-4
MF:
C10H11NO2
MW:
177.2
EINECS:
202-225-1
Product Categories:
  • Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
  • Catechol Derivatives
  • Aromatic Nitriles
  • Aromatics
  • Impurities
  • Intermediates & Fine Chemicals
  • Nitriles
  • Pharmaceuticals
Mol File:
93-17-4.mol
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(3,4-Dimethoxyphenyl)acetonitrile Chemical Properties

Melting point:
54-57 °C(lit.)
Boiling point:
171-178 °C10 mm Hg(lit.)
Density 
1.1607 (rough estimate)
refractive index 
1.5168 (estimate)
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
methanol: 0.1 g/mL, clear
form 
Crystals or Crystalline Needles
color 
yellow
Water Solubility 
insoluble
BRN 
1956100
Exposure limits
NIOSH: IDLH 25 mg/m3
InChIKey
ASLSUMISAQDOOB-UHFFFAOYSA-N
LogP
0.915
CAS DataBase Reference
93-17-4(CAS DataBase Reference)
NIST Chemistry Reference
Benzeneacetonitrile, 3,4-dimethoxy-(93-17-4)
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Safety Information

Hazard Codes 
Xn,T
Risk Statements 
22-23/24/25-36/37/38-20/21/22
Safety Statements 
36/37-45-22-36-26
RIDADR 
3276
WGK Germany 
3
RTECS 
AL9325000
HazardClass 
IRRITANT
HS Code 
29269090

MSDS

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(3,4-Dimethoxyphenyl)acetonitrile Usage And Synthesis

Chemical Properties

white to almost white crystals or cryst. needles

Uses

(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.

Uses

An Impurity of Verapamil (V125000). An intermediate in the preparation of the muscle relaxant Papverine (P190500).

Synthesis Reference(s)

Journal of the American Chemical Society, 57, p. 1126, 1935 DOI: 10.1021/ja01309a053
Tetrahedron Letters, 24, p. 4533, 1983 DOI: 10.1016/S0040-4039(00)85947-X

Purification Methods

Its solubility is 10% in MeOH, and it has been recrystallised from EtOH or MeOH. Purify it also by distillation followed by recrystallisation. [Price & Rogers Org Synth Coll Vol III 174 1955, Niederl & Ziering J Am Chem Soc 64 885 1952, Julian & Sturgis J Am Chem Soc 57 1126 1935, Beilstein 10 I 198.]

(3,4-Dimethoxyphenyl)acetonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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