ChemicalBook > CAS DataBase List > 3,5-DIMETHOXYPHENYLACETONITRILE

3,5-DIMETHOXYPHENYLACETONITRILE

Product Name
3,5-DIMETHOXYPHENYLACETONITRILE
CAS No.
13388-75-5
Chemical Name
3,5-DIMETHOXYPHENYLACETONITRILE
Synonyms
2-(3,5-dimethoxyphenyl)acetonitrile;NSC 245126;HOMOVERATONITRILE;TIMTEC-BB SBB005899;5-DiMethoxyphenylacetonitrile;3,5-DIMETHOXYPHENYLACETONITRILE;3,5-DIMETHOXY-BENZENEACETONITRILE;Benzeneacetonitrile,3,5-dimethoxy-;(3,5-DiMethoxyphenyl)acetonitrile 97%;3,5-Dimethoxyphenylacetonitrile, 98+%
CBNumber
CB2372596
Molecular Formula
C10H11NO2
Formula Weight
177.2
MOL File
13388-75-5.mol
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3,5-DIMETHOXYPHENYLACETONITRILE Property

Melting point:
54-57 °C(lit.)
Boiling point:
316.7±27.0 °C(Predicted)
Density 
1.082±0.06 g/cm3(Predicted)
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Dichloromethane, Ethyl Acetate
form 
powder to crystal
color 
White to Orange to Green
BRN 
2096481
InChI
InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
InChIKey
UUNRWZQWCNTSCV-UHFFFAOYSA-N
SMILES
C1(CC#N)=CC(OC)=CC(OC)=C1
CAS DataBase Reference
13388-75-5(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn,T
Risk Statements 
22
Safety Statements 
36/37-24/25
RIDADR 
3439
WGK Germany 
3
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
591149
Product name
(3,5-Dimethoxyphenyl)acetonitrile
Purity
97%
Packaging
1g
Price
$90.5
Updated
2023/06/20
TCI Chemical
Product number
D5186
Product name
3,5-Dimethoxyphenylacetonitrile
Purity
>98.0%(GC)
Packaging
1g
Price
$51
Updated
2025/07/31
TCI Chemical
Product number
D5186
Product name
3,5-Dimethoxyphenylacetonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$154
Updated
2025/07/31
TRC
Product number
D460585
Product name
(3,5-Dimethoxyphenyl)acetonitrile
Packaging
500mg
Price
$50
Updated
2021/12/16
SynQuest Laboratories
Product number
4637-1-W6
Product name
3,5-Dimethoxyphenylacetonitrile
Packaging
500mg
Price
$43
Updated
2021/12/16
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3,5-DIMETHOXYPHENYLACETONITRILE Chemical Properties,Usage,Production

Chemical Properties

Yellow Solid

Uses

(3,5-Dimethoxyphenyl)acetonitrile (cas# 13388-75-5) is a compound useful in organic synthesis.

Synthesis

7677-24-9

877-88-3

13388-75-5

General procedure for the synthesis of 3,5-dimethoxyphenylacetonitrile from trimethylsilyl cyanide and 3,5-dimethoxybenzyl bromide: In 100 mL of acetonitrile, 2.310 g (0.01 mol) of 3,5-dimethoxy-4-bromobenzyl bromide, 1.485 g (0.015 mol) of trimethylsilyl cyanide, and 4.725 g (0.015 mol) of tetra butylammonium fluoride in a 30 mL three-neck flask. The mixture was stirred and heated to reflux and the reaction was carried out for 6 hours, during which time the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, it was cooled to room temperature and the reaction solution was poured into 100 mL of ice water and stirred until a white solid precipitated. The solid was collected by filtration, washed with 50% methanol and dried to afford the target compound 3,5-dimethoxyphenylacetonitrile in 66.7% yield.

Purification Methods

Crystallise the nitrile from MeOH or pet ether (b 90-110o). [Adams et al. J Am Chem Soc 70 664 1948, Sankaraman et al. J Am Chem Soc 109 5235 1987, Beilstein 10 I 198, 10 II 269, 10 III 1470.]

References

[1] Patent: CN105503652, 2016, A. Location in patent: Paragraph 0048; 0049
[2] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 1, p. 81 - 85

3,5-DIMETHOXYPHENYLACETONITRILE Preparation Products And Raw materials

Raw materials

Sodium borohydride Sodium cyanide Methanol Dimethyl sulfoxide 3,5-Dimethoxybenzaldehyde Phosphorus tribromide

Preparation Products

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3,5-DIMETHOXYPHENYLACETONITRILE Suppliers

Americas 1 Canada 2 China 150 Europe 1 Germany 5 India 13 Japan 1 Switzerland 1 United Kingdom 11 United States 23 Global 208
J & K SCIENTIFIC LTD.
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View Lastest Price from 3,5-DIMETHOXYPHENYLACETONITRILE manufacturers

Moxin Chemicals
Product
Dobutamine Impurity 46 13388-75-5
Price
US $0.00-0.00/mg
Min. Order
10mg
Purity
99%+ HPLC
Supply Ability
1000
Release date
2025-06-04
Zhuozhou Wenxi import and Export Co., Ltd
Product
(3,5-Dimethoxyphenyl)acetonitrile 13388-75-5
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-06-27
Career Henan Chemical Co
Product
3,5-DIMETHOXYPHENYLACETONITRILE 13388-75-5
Price
US $8.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100KG
Release date
2018-12-15

13388-75-5, 3,5-DIMETHOXYPHENYLACETONITRILERelated Search:

METHOXY-(-)-VERAPAMIL HYDROCHLORIDE Nexopamil 3,5-DIMETHOXYPHENYLACETONITRILE Dagapamil 2,5-DIMETHOXYPHENYLACETONITRILE 3,4,5-Trimethoxyphenylacetonitrile 3,5-DIMETHOXYPHENYLACETONITRILE,3,4-DIMETHOXYPHENYLACETONITRILE / HOMOVERATRONITRILE alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile 2-BROMO-4,5-DIMETHOXYPHENYLACETONITRILE,6-BROMO-3,4-DIMETHOXYPHENYLACETONITRILE METHOXYVERAPAMIL HYDROCHLORIDE 1-(3,5-DIMETHOXY-PHENYL)-CYCLOPENTANECARBONITRILE 3,4,5-trimethoxy-alpha-(1-methylethyl)phenylacetonitrile 2,3-DIMETHOXYPHENYLACETONITRILE 2-(3,5-DIMETHOXY-PHENYL)-2-METHYL-PROPIONITRILE 3,5-DIMETHOXY-4-HYDROXYPHENYL ACETONITRILE 2-FLUORO-3,4-DIMETHOXYPHENYLACETONITRILE l-a-Isopropyl-a-[(N-methyl-N-homoveratryl)-g-aminopropyl]-3,4-dimethoxyphenylacetonitrile norgallopamil

  • HOMOVERATONITRILE
  • 3,5-DIMETHOXY-BENZENEACETONITRILE
  • 3,5-DIMETHOXYPHENYLACETONITRILE
  • 3,5-Dimethoxyphenylacetonitrile, 98+%
  • Benzeneacetonitrile,3,5-dimethoxy-
  • 2-(3,5-dimethoxyphenyl)acetonitrile
  • 5-DiMethoxyphenylacetonitrile
  • NSC 245126
  • (3,5-DiMethoxyphenyl)acetonitrile 97%
  • TIMTEC-BB SBB005899
  • 13388-75-5
  • CH3O2C6H3CH2CN
  • C10 to C27
  • Building Blocks
  • Biochemicals and Reagents
  • BioChemical
  • Fluorescent Indicators and Probes
  • Fluorescent Probes, Labels, Particles and Stains
  • Alphabetical
  • Detection
  • Cyanides/Nitriles
  • Organic Building Blocks
  • pH Sensitive Probes and Indicators
  • Nitrogen Compounds
  • Aromatics
  • Intermediates
  • Miscellaneous Reagents
  • Aromatic Nitriles
  • C10 to C27
  • Cyanides/Nitriles
  • Nitrogen Compounds