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2-(4-BROMOPHENOXY)ACETONITRILE, with the molecular formula C8H6BrNO, is a nitrile compound characterized by the presence of a bromine atom and a phenoxy group attached to a central acetonitrile structure. This versatile chemical compound is widely used in various organic synthesis reactions, serving as a reagent or intermediate. Its unique structure, which includes a bromine atom and phenoxy group, makes it a valuable component in the modification of organic molecules, contributing to the development of new materials and chemical products. 2-(4-BROMOPHENOXY)ACETONITRILE's diverse applications have garnered interest from researchers in the fields of chemistry, pharmaceuticals, and materials science.

39489-67-3

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39489-67-3 Usage

Uses

Used in Organic Synthesis:
2-(4-BROMOPHENOXY)ACETONITRILE is used as a reagent or intermediate in organic synthesis reactions for its ability to modify organic molecules and contribute to the development of new materials and chemical products.
Used in Pharmaceutical Industry:
2-(4-BROMOPHENOXY)ACETONITRILE is used as a key intermediate in the production of various pharmaceuticals, playing a crucial role in the synthesis of active pharmaceutical ingredients.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(4-BROMOPHENOXY)ACETONITRILE is utilized as a precursor in the synthesis of agrochemicals, contributing to the development of effective crop protection products.
Used in Materials Science:
2-(4-BROMOPHENOXY)ACETONITRILE is employed in the field of materials science for its potential to modify the properties of existing materials and contribute to the creation of innovative chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 39489-67-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,4,8 and 9 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 39489-67:
(7*3)+(6*9)+(5*4)+(4*8)+(3*9)+(2*6)+(1*7)=173
173 % 10 = 3
So 39489-67-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2

39489-67-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-BROMOPHENOXY)ACETONITRILE

1.2 Other means of identification

Product number -
Other names 4-Bromophenoxyacetonitrile

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:39489-67-3 SDS

39489-67-3Relevant academic research and scientific papers

MAP4K4 INHIBITORS

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Paragraph 00262, (2020/07/05)

This invention relates to compounds that may be useful as inhibitors of Mitogen-activated Protein Kinase Kinase Kinase Kinase-4 (MAP4K4). The invention also relates to the use of these compounds, for example in a method of treatmentof cardiac conditions.In particular, the present invention relates to compounds of formula (I):

Synthesis of aryloxyacetonitriles based on arylboronic acids with 2-bromoacetonitrile

Li, Yingmin,Guo, Mengping,Wen, Yongju,Zhou, Lanjiang,Shen, Xiuli,Kang, Yangping

supporting information, (2020/09/09)

A new and efficient protocol for the synthesis of aryloxyacetonitriles based on arylboronic acids with 2-bromoacetonitrile has been developed using eco-friendly hydrogen peroxide as oxidant under metal-free conditions. This method is compatible with arylboronic acid attached sensitive substituent and obtains desired product in moderate to good yield.

MAP4K4 INHIBITORS

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Paragraph 00196, (2019/05/02)

This invention relates to pyrrolopyrimidine comprising compounds that may be useful as inhibitors of Mitogen-activated Protein Kinase Kinase Kinase Kinase-4 (MAP4K4). The invention also relates to the use of these pyrrolopyrimidine comprising compounds, f

LSD1 Inhibitors

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Paragraph 0531; 0532, (2017/07/14)

The present invention relates to compounds that inhibit LSD1 activity. In particular, the present invention relates to compounds, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions of the present invention.

As opioid receptor antagonists or inverse agonists of the novel compounds

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Paragraph 0465; 0466, (2016/10/08)

Novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, pharmaceutical compositions containing them, to processes for their preparation.

Perfluorobutyl iodide-assisted direct cyanomethylation of azoles and phenols with acetonitrile

Zhang, Juan,Wu, Wei,Ji, Xinfei,Cao, Song

, p. 20562 - 20565 (2015/03/30)

A perfluorobutyl iodide-assisted transition-metal-free cyanomethylation of azoles and phenols with acetonitrile in the presence of NaH has been developed. The reaction proceeded smoothly under mild reaction conditions to give the cyanomethylated products in moderate to high yields. A mechanism involving the cyanomethyl radical through C-H bond cleavage in acetonitrile was proposed. This journal is

2- PYRIDONE COMPOUND

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Paragraph 0281; 0286; 0287, (2016/10/08)

PROBLEM TO BE SOLVED: To provide a compound that has excellent glucokinase (GK) activating action and is useful as a pharmaceutical. SOLUTION: The present invention provides a 2-pyridone compound represented by formula [1], and a tautomer or stereoisomer of the compound, or their pharmacologically acceptable salts, or their solvates (where R1 is RA-ZA-; RA is any of a carboxy group, a sulfo group or formula [5]). COPYRIGHT: (C)2016,JPOandINPIT

Combinatorial synthesis and in vitro evaluation of a biaryl hydroxyketone library as antivirulence agents against mrsa

Yu, Guanping,Kuo, David,Shoham, Menachem,Viswanathan, Rajesh

supporting information, p. 85 - 91 (2014/03/21)

Antibiotic resistance coupled with decreased development of new antibiotics necessitates the search for novel antibacterial agents. Antivirulence agents offer an alternative to conventional antibiotics. In this work, we report on a family of small-molecule antivirulence agents against methicillin-resistant Staphylococcus aureus (MRSA), the most widespread bacterial pathogen. Structure-activity relationship studies led to the development of a concise synthesis of a 148-member biarylhydroxyketone library. An acylation bond-forming process afforded resorcinols (1) and aryloxy acetonitriles (2) as synthons. A Lewis-acid-activated Friedel-Crafts' acylation step involving a nitrile functionality of 2 by ZnCl2, followed by nucleophilic attack by 1 was executed to obtain biaryl hydroxyketones in excellent yields. A large number of products crystallized. This strategy affords a range of biarylhydroxyketones in a single step. This is the first collective synthetic study documenting access to this class of compounds through a single synthetic operation. In vitro efficacy of compounds in this library was evaluated by a rabbit erythrocyte hemolysis assay. The most efficacious compound, 4f-12, inhibits hemolysis by 98.1 ± 0.1% compared to control in the absence of the compound.

NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS

-

, (2011/06/19)

Novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, pharmaceutical compositions containing them, to processes for their preparation.

METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS

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, (2010/05/13)

A method of treatment using pharmaceutical compositions containing novel antagonists or inverse agonists at opioid receptors for the treatment of binge eating disorder, anorexia nervosa, bulimia nervosa, excess drug or alcohol use, or eating disorder not otherwise specified.

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