3,4-(Methylenedioxy)phenylacetonitrile

3,4-(Methylenedioxy)phenylacetonitrile Basic information
Product Name:3,4-(Methylenedioxy)phenylacetonitrile
Synonyms:A-CYANO-3,4-METHYLENEDIOXYTOLUENE;3,4-(METHYLENEDIOXY)PHENYLACETONITRILE;(1,3-Benzodioxol-5-yl)acetonitrile~3,4-(Methylenedioxy)benzyl cyanide~Piperonyl cyanide;Homopiperonylnitrile;3,4-METHYLENEDIOXYPHENYLACETONITRILE, 99 %;PEPERACETONITRILE;3,4-METHYLENEDIOXYPHENYLACETONITRILE 99%;3,4-(Methylenedioxy)phenylacetonitrile, 98+%
CAS:4439-02-5
MF:C9H7NO2
MW:161.16
EINECS:224-655-9
Product Categories:Pharmaceutical Intermediates;Aromatic Nitriles
Mol File:4439-02-5.mol
3,4-(Methylenedioxy)phenylacetonitrile Structure
3,4-(Methylenedioxy)phenylacetonitrile Chemical Properties
Melting point 43-45 °C(lit.)
Boiling point 135-140°C 5mm
density 1.270±0.06 g/cm3(Predicted)
Fp >230 °F
storage temp. Inert atmosphere,Room Temperature
form powder to crystal
color White to Light yellow
Water Solubility Insoluble in water.
BRN 7739
Exposure limitsNIOSH: IDLH 25 mg/m3
InChIKeyZQPBOYASBNAXOZ-UHFFFAOYSA-N
CAS DataBase Reference4439-02-5(CAS DataBase Reference)
NIST Chemistry Reference3,4-Methylenedioxyphenylacetonitrile(4439-02-5)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22
Safety Statements 36-36/37
RIDADR 3439
WGK Germany 3
HazardClass 6.1
PackingGroup III
HS Code 29329990
MSDS Information
ProviderLanguage
1,3-Benzodioxole-5-acetonitrile English
SigmaAldrich English
ACROS English
ALFA English
3,4-(Methylenedioxy)phenylacetonitrile Usage And Synthesis
Chemical PropertiesPale yellow low melting solid
Uses3,4-(Methylenedioxy)phenylacetonitrile was used in synthesis of derrubone. It was used as standard to analyze the seized methamphetamine samples showing unique profiles of stable isotopic compositions by isotope ratio mass spectrometry.
General Description3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.
3,4-(Methylenedioxy)phenylacetonitrile Preparation Products And Raw materials
Raw materialsDimethyl sulfoxide-->Sodium cyanide-->Catechol-->Dichloroethane-->1,3-Benzodioxole-->1,3,5-trioxane
Preparation ProductsHOMOPIPERONYLAMINE-->Homopiperonylamide-->(3,4-DIHYDROXYPHENYL)ACETONITRILE-->2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile
Piperonyl chloride Methyl cyclopentenolone acetonitrile 3,4-(Methylenedioxy)phenylacetonitrile (E)-2-(1,3-BENZODIOXOL-5-YL)-3-[3-(3,4-DIMETHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-2-PROPENENITRILE (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-(1-ISOBUTYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)-2-PROPENENITRILE 3-NITROPHENYLACETONITRILE RARECHEM AK ML 0123 2-(1,3-BENZODIOXOL-5-YL)-3-[2-(2,4-DICHLOROPHENOXY)PHENYL]ACRYLONITRILE 3,4-METHYLENEDIOXYPHENYLACETONITRILE, (3,4-METHYLENEDIOXYBENZYL CYANIDE) (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-(4-[(4-CHLOROPHENYL)SULFANYL]-3-NITROPHENYL)-2-PROPENENITRILE Benzeneacetonitrile RARECHEM AK ML 0124 Cyclopentene (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-1-PHENYL-1H-PYRAZOL-4-YL]-2-PROPENENITRILE (Z)-2-(1,3-BENZODIOXOL-5-YL)-3-[3-(2-PYRIMIDINYLOXY)PHENYL]-2-PROPENENITRILE (E)-2-(1,3-BENZODIOXOL-5-YL)-3-[4-(3-FORMYL-1H-INDOL-1-YL)PHENYL]-2-PROPENENITRILE RARECHEM AK ML 0122

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