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2-PHENOXYBENZONITRILE, with the molecular formula C13H9NO, is a white crystalline solid that serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also utilized as a reagent in organic synthesis and a building block in the production of dyes and pigments. Known for its high purity, stability, and low toxicity, 2-PHENOXYBENZONITRILE is a valuable chemical compound in various industries.

6476-32-0

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6476-32-0 Usage

Uses

Used in Pharmaceutical Industry:
2-PHENOXYBENZONITRILE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and enhance the efficacy of existing ones.
Used in Agrochemical Industry:
2-PHENOXYBENZONITRILE is used as an intermediate in the production of agrochemicals, playing a crucial role in the development of effective and safe pesticides and other agricultural chemicals.
Used in Organic Synthesis:
2-PHENOXYBENZONITRILE is used as a reagent in organic synthesis, facilitating the creation of a wide range of organic compounds for various applications.
Used in Dye and Pigment Production:
2-PHENOXYBENZONITRILE is used as a building block in the production of dyes and pigments, contributing to the development of vibrant and stable colorants for various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 6476-32-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,7 and 6 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6476-32:
(6*6)+(5*4)+(4*7)+(3*6)+(2*3)+(1*2)=110
110 % 10 = 0
So 6476-32-0 is a valid CAS Registry Number.
InChI:InChI=1/C13H9NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H

6476-32-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Phenoxybenzonitrile

1.2 Other means of identification

Product number -
Other names 2-PHENOXYBENZONITRILE

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:6476-32-0 SDS

6476-32-0Relevant academic research and scientific papers

Decarbonylative Synthesis of Aryl Nitriles from Aromatic Esters and Organocyanides by a Nickel Catalyst

Iizumi, Keiichiro,Kurosawa, Miki B.,Isshiki, Ryota,Muto, Kei,Yamaguchi, Junichiro

supporting information, p. 1555 - 1559 (2020/11/10)

A decarbonylative cyanation of aromatic esters with aminoacetonitriles in the presence of a nickel catalyst was developed. The key to this reaction was the use of a thiophene-based diphosphine ligand, dcypt, permitting the synthesis of aryl nitrile without the generation of stoichiometric metal- or halogen-containing chemical wastes. A wide range of aromatic esters, including hetarenes and pharmaceutical molecules, can be converted into aryl nitriles.

Three-Component Synthesis of Dibenzoxazepinamines and Dibenzothiazepinamines under Transition-Metal-Free Conditions

Chen, Shanping,Deng, Guo-Jun,Fang, Fang,Jiang, Shuxin,Lei, Hanwen

, p. 15658 - 15664 (2021/11/12)

A convenient and efficient strategy for the synthesis of dibenzoxazepinamines and dibenzothiazepinamines has been developed. This three-component approach started from 2-nitrobenzaldehydes, 2-aminophenols, and methoxyammonium chlorides under metal-free conditions. The protocol has the advantages of readily available starting materials, simple and facile conditions, gram-scale synthesis, and broad substrate scope, providing an efficient and practical strategy for the preparation of potential drug-active dibenzoxazepinamines and dibenzothiazepinamines in one pot.

2,4-Diaminotriazines as anti-infective agents

De, Suparna S.,Vogalu, Siva K.,Ansari, Nazima,Patil, Rajendra,Sriram, Dharmarajan,Degani, Mariam S.

, p. 1211 - 1215 (2020/12/04)

Triazines are scaffolds of interest to medicinal chemists as they have a wide variety of pharmacological activities. Molecules with the triazine moiety have been explored extensively for their anti-infective potential. In this paper, we report a series of

Electrochemical Reductive Smiles Rearrangement for C-N Bond Formation

Chang, Xihao,Zhang, Qinglin,Guo, Chang

supporting information, p. 10 - 13 (2019/01/04)

A conceptually new and synthetically valuable radical Smiles rearrangement reaction is reported under undivided electrolytic conditions. This protocol employs an entirely new strategy for the electrochemical radical Smiles rearrangement. Remarkably, an amidyl radical generated from the cleavage of the N-O bond under reductive electrolytic conditions plays a crucial role in this transformation. Various hydroxylamine derivatives bearing different substituents are suitable in this electrochemical transformation, furnishing the corresponding amides in up to 86% yield.

PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE

-

Page/Page column 50; 60, (2019/11/04)

The present invention relates to pyrazolo[1,5-a][1,3,5]triazine and pyrazolo[l,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferative diseases, inflammatory diseases, immunological diseases, cardiovascular diseases and infectious diseases. Furthermore, the present invention is directed towards pharmaceutical compositions containing at least one of the pyrazolo[1,5-a][1,3,5]triazine and pyrazolo[1,5-a]pyrimidine derivatives and/or pharmaceutically acceptable salts thereof.

Formal Aniline Synthesis from Phenols through Deoxygenative N-Centered Radical Substitution

Lardy, Samuel W.,Luong, Kristine C.,Schmidt, Valerie A.

supporting information, p. 15267 - 15271 (2019/12/11)

Phenolic, lignin-derived substrates have emerged as desirable biorenewable chemical feedstocks for coupling reactions. A radical-mediated conversion of phenol derivatives to anilines is reported, using unfunctionalized hydroxamic acids as the N-centered radical source. The applicability of this triethyl phosphite mediated O-atom transfer approach, which tolerates a range of steric and electronic demands to naturally occurring phenols and lignin models, has been demonstrated in this work to access the corresponding aniline derivatives.

Transformation of aromatic bromides into aromatic nitriles with n-BuLi, pivalonitrile, and iodine under metal cyanide-free conditions

Uchida, Ko,Togo, Hideo

, (2019/09/04)

Various aromatic nitriles could be obtained in good yields by the treatment of aryl bromides with n-butyllithium and then pivalonitrile, followed by the treatment with molecular iodine at 70 °C, without metal cyanides under transition-metal-free conditions. The present reaction proceeds through the radical β-elimination of imino-nitrogen-centered radicals formed from the reactions of imines and N-iodoimines under warming conditions.

Efficient Aryl Migration from an Aryl Ether to a Carboxylic Acid Group To Form an Ester by Visible-Light Photoredox Catalysis

Wang, Shao-Feng,Cao, Xiao-Ping,Li, Yang

supporting information, p. 13809 - 13813 (2017/10/24)

We have developed a highly efficient aryl migration from an aryl ether to a carboxylic acid group through retro-Smiles rearrangement by visible-light photoredox catalysis at ambient temperature. Transition metals and a stoichiometric oxidant and base are avoided in the transformation. Inspired by the high efficiency of this transformation and the fundamental importance of C?O bond cleavage, we developed a novel approach to the C?O cleavage of a biaryl ether to form two phenolic compounds, as demonstrated by a one-pot, two-step gram-scale reaction under mild conditions. The aryl migration exhibits broad scope and can be applied to the synthesis of pharmaceutical compounds, such as guacetisal. Primary mechanistic studies indicate that the catalytic cycle occurs by a reductive quenching pathway.

Direct C-H Cyanation of Arenes via Organic Photoredox Catalysis

McManus, Joshua B.,Nicewicz, David A.

supporting information, p. 2880 - 2883 (2017/03/11)

Methods for the direct C-H functionalization of aromatic compounds are in demand for a variety of applications, including the synthesis of agrochemicals, pharmaceuticals, and materials. Herein, we disclose the construction of aromatic nitriles via direct C-H functionalization using an acridinium photoredox catalyst and trimethylsilyl cyanide under an aerobic atmosphere. The reaction proceeds at room temperature under mild conditions and has proven to be compatible with a variety of electron-donating and -withdrawing groups, halogens, and nitrogen- and oxygen-containing heterocycles, as well as aromatic-containing pharmaceutical agents.

Base-promoted synthesis of dibenzoxazepinamines and quinazolinimines under metal-free conditions

Feng, Jian-Bo,Wu, Xiao-Feng

, p. 4522 - 4526 (2015/09/15)

An interesting base-promoted protocol for the synthesis of dibenzo[b,f][1,4]oxazepin-11-amines and quinazolinimines has been developed. Started from commercially available 2-fluorobenzonitriles, 2-aminophenols and 2-aminoethanol, good to excellent yields

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