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3-Bromophenylacetonitrile is a light yellow, low melting crystalline solid that serves as an essential intermediate in the synthesis of various organic compounds and pharmaceuticals.

31938-07-5

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31938-07-5 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromophenylacetonitrile is used as a key intermediate for the synthesis of novel 5-HT7 receptor ligands, which are important in the development of medications targeting various neurological and psychiatric disorders, such as depression, anxiety, and schizophrenia.
Used in Chemical Synthesis:
3-Bromophenylacetonitrile is used as a building block in the synthesis of a series of aminoethylbiphenyls, which are valuable compounds in the field of organic chemistry and have potential applications in various industries.
Used in Thiazolidine-4,5-dione Synthesis:
3-Bromophenylacetonitrile is used as a starting material in the preparation of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione, a compound with potential applications in the pharmaceutical and chemical industries.

Check Digit Verification of cas no

The CAS Registry Mumber 31938-07-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,9,3 and 8 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 31938-07:
(7*3)+(6*1)+(5*9)+(4*3)+(3*8)+(2*0)+(1*7)=115
115 % 10 = 5
So 31938-07-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

31938-07-5 Well-known Company Product Price

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  • Alfa Aesar

  • (B20189)  3-Bromophenylacetonitrile, 97%   

  • 31938-07-5

  • 5g

  • 423.0CNY

  • Detail
  • Alfa Aesar

  • (B20189)  3-Bromophenylacetonitrile, 97%   

  • 31938-07-5

  • 25g

  • 1363.0CNY

  • Detail
  • Alfa Aesar

  • (B20189)  3-Bromophenylacetonitrile, 97%   

  • 31938-07-5

  • 100g

  • 3876.0CNY

  • Detail

31938-07-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-bromophenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names m-Bromobenzyl cyanide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:31938-07-5 SDS

31938-07-5Relevant academic research and scientific papers

Rapid and Simple Access to α-(Hetero)arylacetonitriles from Gem-Difluoroalkenes

Hu, Dandan,Liu, Jiayue,Ren, Hongjun,Song, Jinyu,Zhang, Jun-Qi,Zhu, Guorong

supporting information, p. 786 - 790 (2022/01/28)

A scalable cyanation of gem-difluoroalkenes to (hetero)arylacetonitrile derivatives was developed. This strategy features mild reaction conditions, excellent yields, wide substrate scope, and broad functional group tolerance. Significantly, in this reacti

Radical cyanomethylation via vinyl azide cascade-fragmentation

Donald, James R.,Berrell, Sophie L.

, p. 5832 - 5836 (2019/06/17)

Herein, a novel methodology for radical cyanomethylation is described. The process is initiated by radical addition to the vinyl azide reagent 3-azido-2-methylbut-3-en-2-ol which triggers a cascade-fragmentation mechanism driven by the loss of dinitrogen and the stabilised 2-hydroxypropyl radical, ultimately effecting cyanomethylation. Cyanomethyl groups can be efficiently introduced into a range of substrates via trapping of α-carbonyl, heterobenzylic, alkyl, sulfonyl and aryl radicals, generated from a variety of functional groups under both photoredox catalysis and non-catalytic conditions. The value of this approach is exemplified by the late-stage cyanomethylation of pharmaceuticals.

Synthesis of α-aryl esters and nitriles: Deaminative coupling of α-aminoesters and α-aminoacetonitriles with arylboronic acids

Wu, Guojiao,Deng, Yifan,Wu, Chaoqiang,Zhang, Yan,Wang, Jianbo

supporting information, p. 10510 - 10514 (2016/02/18)

Transition-metal-free synthesis of α-aryl esters and nitriles using arylboronic acids with α-aminoesters and α-aminoacetonitriles, respectively, as the starting materials has been developed. The reaction represents a rare case of converting C(sp3)-N bonds into C(sp3)-C(sp2) bonds. The reaction conditions are mild, demonstrate good functional-group tolerance, and can be scaled up. Touch base: A transition-metal-free protocol for the synthesis of α-aryl esters and nitriles by deaminative coupling is presented. Strong bases and transition-metal catalysts are not needed. The new synthetic method uses readily available starting materials and demonstrates wide substrate scope.

5-LIPOXYGENASE INHIBITORS

-

Page/Page column 17-18, (2010/11/29)

The present invention relates to 5-lipoxygenase inhibitors. Compounds disclosed herein can be useful in the treatment of bronchial asthma, chronic obstructive pulmonary disorder, arthritis, type I diabetes, multiple sclerosis, allograft rejection, psoriasis, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis, urticaria, atopic dermatitis, allergic rhinitis, other inflammatory and autoimmune diseases. Processes for the preparation of disclosed compounds, pharmaceutical compositions containing the disclosed compounds and their use as 5-lipoxygenase inhibitors are also provided.

Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors

-

Page/Page column 20, (2010/11/28)

The present invention relates to 5-lipoxygenase inhibitors of formula I. Compounds disclosed herein can be useful in the treatment of bronchial asthma, chronic obstructive pulmonary disorder, arthritis, type 1 diabetes, multiple sclerosis, allograft rejection, psoriasis, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis, urticaria, atopic dermatitis, allergic rhinitis, other inflammatory and autoimmune diseases. Processes for the preparation of disclosed compounds, pharmaceutical compositions containing the disclosed compounds and their use as 5-lipoxygenase inhibitors are also provided.

The Acidity of Weak Carbon Acids. Part 3. The Kinetic Acidities of Substituted Benzyl Cyanides using Secondary Aliphatic Amines and Guanidines as Bases

Bowden, Keith,Madvi, Nighat S.,Ranson, Richard J.

, p. 2474 - 2496 (2007/10/02)

The rate coefficients for the base-catalysed detritiation of a series of m-substituted benzyl cyanides in DMSO and methanol have been measured at 25.0 deg C.In DMSO the bases are a series of secondary aliphatic amines and guanidines and in methanolic methoxide.For benzyl cyanide and piperidine in DMSO, the rate coefficients for detritiation at 55.0 deg C and dedeuteration at 25.0 deg C were also measured.The kinetic isotope effect and activation parameters indicate the rate determining step to be the ionisation process.Broensted coefficients, α and δ, have been calculated from both the known pKa values of the substrates and measured pKa values of the bases in DMSO.Both indicate a transition state composed of an "advanced" carbanionic structure.There is no reactivity-selectivity relationship apparent.The results are discussed in relation to Marcus and related theories.

Method of treating nausea and vomiting with certain substituted-phenylalkylamino (and aminoacid) derivatives and other serotonin depleting agents

-

, (2008/06/13)

A method for the treatment of emesis in a mammal, which method comprises administering to said mammal an emesis inhibiting amount of a compound which depletes serotonin in the brain of mammals; among which are compounds having the formula: STR1 wherein, R is selected from hydrogen, loweralkyl, trifluoromethyl, carboxyl, or loweralkoxycarbonyl; R1 and R2 are hydrogen or loweralkyl; Z is trifluoromethyl or halogen; the optical isomers and pharmaceutically acceptable salts thereof; two of the preferred compounds of the invention are fenfluramine and norfenfluramine.

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