169986
4-Methoxyphenylacetonitrile
97%
Synonym(s):
4-Methoxybenzyl cyanide
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About This Item
Linear Formula:
CH3OC6H4CH2CN
CAS Number:
Molecular Weight:
147.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-206-0
Beilstein/REAXYS Number:
509162
MDL number:
Assay:
97%
InChI key
PACGLQCRGWFBJH-UHFFFAOYSA-N
InChI
1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
SMILES string
COc1ccc(CC#N)cc1
assay
97%
Quality Level
bp
286-287 °C (lit.)
density
1.085 g/mL at 25 °C (lit.)
functional group
nitrile
Related Categories
General description
4-Methoxyphenylacetonitrile has been isolated from the sponge Psammaplysilla purpurea.
Application
4-Methoxyphenylacetonitrile was used as starting reagent in the synthesis of :
- 2-(1-cyano-1-(2-methoxy)phenyl)methylidene-3-phenylthiazolidine-4,5-dione
- 2-(1-cyano-1-(4-methoxy)-phenyl)methylidene-3-phenylthiazolidine-4,5-dione
- α-cyanostilbenes
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 3
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
242.6 °F - DIN 51758
flash_point_c
117 °C - DIN 51758
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Brominated benzeneacetonitriles, the dibromotyrosine metabolites from the sponge Psammaplysilla purpurea.
Venkateswarlu Y and Chavakula R.
Journal of Natural Products, 58(7), 1087-1088 (1995)
Uwe Albrecht et al.
Bioorganic & medicinal chemistry, 13(14), 4402-4407 (2005-05-21)
2-Alkylidenethiazolidine-4,5-diones were prepared by novel one-pot cyclizations of arylacetonitriles with isothiocyanates and ethyl 2-chloro-2-oxoacetate. The products show antibiotic activity against the Gram-positive bacteria Bacillus subtilis and Staphylococcus aureus.
Kavya S Keremane et al.
Photochemistry and photobiology, 97(2), 289-300 (2020-10-02)
Developing effective and low-cost organic hole-transporting materials (HTMs) is crucial for the construction of high-performance perovskite solar cells (PSCs) and to promote their production in commercial ventures. In this context, we herein report the molecular design, synthesis and characterization of
Byung Seok Moon et al.
Bioorganic & medicinal chemistry, 17(9), 3479-3488 (2009-04-11)
We have investigated halogen-substituted non-steroidal estrogens with selective binding affinity for the estrogen receptor beta (ERbeta that might be used for imaging the levels of this ER-subtype in breast tumors by positron emission tomography (PET). Based on diarylpropionitrile (DPN, 1a)
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