145300
3,4-(Methylenedioxy)phenylacetonitrile
99%
Synonym(s):
1,3-Benzodioxole-5-acetonitrile, Homopiperonylnitrile
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
Beilstein:
7739
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
99%
mp
43-45 °C (lit.)
functional group
nitrile
SMILES string
N#CCc1ccc2OCOc2c1
InChI
1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChI key
ZQPBOYASBNAXOZ-UHFFFAOYSA-N
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General description
3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.
Application
3,4-(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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Seized methamphetamine samples with unique profiles of stable nitrogen isotopic composition documented by stable isotope ratio mass spectrometry.
Iwata YT, et al.
Forensic Toxicology, 28(2), 119-123 (2010)
Jedidiah M Hastings et al.
The Journal of organic chemistry, 73(2), 369-373 (2007-12-25)
Recently, we reported that the natural product derrubone exhibits Hsp90 inhibitory activity. Due to its unique architectural scaffold and proposed rapid assembly, the synthesis of this natural product was pursued with the aim of identifying structure--activity relationships. Synthesis of the
Enzymatic nitrile hydrolysis catalyzed by nitrilase ZmNIT2 from maize. An unprecedented ?-hydroxy functionality enhanced amide formation.
Mukherjee C, et al.
Tetrahedron, 62(26), 6150-6154 (2006)
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