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2-(BENZENESULFONYLMETHYL)BENZONITRILE, with the molecular formula C15H13NO2S, is a white to light yellow crystalline powder. It is a benzonitrile derivative featuring a sulfone functional group, which endows it with versatile reactivity in chemical reactions. 2-(BENZENESULFONYLMETHYL)BENZONITRILE is widely recognized as an intermediate in organic synthesis, serving as a building block for the creation of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and properties also make it a key component in the production of dyes and pigments, contributing to a broad spectrum of chemical products.

82651-72-7

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82651-72-7 Usage

Uses

Used in Pharmaceutical Industry:
2-(BENZENESULFONYLMETHYL)BENZONITRILE is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows it to be a key component in the synthesis of new drug molecules, potentially leading to the discovery of novel treatments for a range of medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(BENZENESULFONYLMETHYL)BENZONITRILE is utilized as a precursor in the synthesis of agrochemicals. Its role in creating effective compounds for pest control and crop protection underscores its importance in agricultural applications.
Used in Specialty Chemicals Production:
2-(BENZENESULFONYLMETHYL)BENZONITRILE is used as a building block in the production of specialty chemicals. Its versatility in chemical reactions makes it suitable for creating a variety of high-value chemical products with specific applications in different industries.
Used in Dyes and Pigments Industry:
2-(BENZENESULFONYLMETHYL)BENZONITRILE is used as an ingredient in the manufacture of dyes and pigments. Its chemical properties contribute to the development of colorants with unique characteristics, enhancing the quality and performance of products in this industry.

Check Digit Verification of cas no

The CAS Registry Mumber 82651-72-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,2,6,5 and 1 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 82651-72:
(7*8)+(6*2)+(5*6)+(4*5)+(3*1)+(2*7)+(1*2)=137
137 % 10 = 7
So 82651-72-7 is a valid CAS Registry Number.
InChI:InChI=1/C14H11NO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,11H2

82651-72-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Phenylsulfonylmethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 2-(benzenesulfonylmethyl)benzonitrile

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:82651-72-7 SDS

82651-72-7Relevant academic research and scientific papers

Base-controlled divergent synthesis of vinyl sulfones from (benzylsulfonyl)benzenes and paraformaldehyde

Xiao, Fuhong,Hu, Yangling,Huang, Huawen,Xu, Fen,Deng, Guo-Jun

supporting information, p. 3527 - 3535 (2020/05/25)

A tuneable metal-free protocol for the selective preparation of a-substituted vinyl sulfone and (E)-vinyl sulfone derivatives has been described. In this process, stable paraformaldehyde was used as the carbon source. The base played an important role in the selectivity control of transformations. More than 50 products were synthesized with excellent chemoselectivity and broad functional group tolerance.

A visible-light photoactivatable di-nuclear PtIV triazolato azido complex

Yao, Kezi,Bertran, Arnau,Howarth, Alison,Goicoechea, Jose M.,Hare, Samuel M.,Rees, Nicholas H.,Foroozandeh, Mohammadali,Bowen, Alice M.,Farrer, Nicola J.

supporting information, p. 11287 - 11290 (2019/09/30)

A novel PtIV triazolato azido complex [3]-[N1,N3] has been synthesised via a strain-promoted double-click reaction (SPDC) between a PtIV azido complex (1) and the Sondheimer diyne (2). Photoactivation of [3]-[N1,N3] with visible ligh

Cyclopropenone-caged Sondheimer diyne (dibenzo[a,e]cyclooctadiyne): A photoactivatable linchpin for efficient SPAAC crosslinking

Sutton, Dewey A.,Yu, Seok-Ho,Steet, Richard,Popik, Vladimir V.

supporting information, p. 553 - 556 (2016/01/09)

The first fully conjugated bis-cyclopropenone (photo-DIBOD), a derivative of dibenzo[a,e][8]annulene, has been synthesized. 350-420 nm irradiation of this robust compound results in the efficient formation of dibenzo [a,e] cyclooctadiyne, an unstable, but

MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME

-

Paragraph 0137-0140, (2017/04/21)

The present specification describes a multicyclic aromatic ring compound having a novel structure and an organic light emitting device using the same.

Substituted 5,6,11,12-tetradehydrodibenzo[ a, e ]cyclooctenes: Syntheses, properties, and DFT studies of substituted sondheimer-wong diynes

Xu, Feng,Peng, Lifen,Shinohara, Kenta,Morita, Takamoto,Yoshida, Suguru,Hosoya, Takamitsu,Orita, Akihiro,Otera, Junzo

, p. 11592 - 11608 (2015/01/09)

Highly strained cyclic acetylenes 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes (Sondheimer-Wong diynes) having various substituents on their benzene rings were synthesized successfully by one-pot treatment of the corresponding formyl sulfones with diethyl chlorophosphate/lithium hexamethyldisilazide (LiHMDS) and then lithium diisopropylamide (LDA). When mixtures of two types of formyl sulfones bearing different substituents were subjected to this protocol, the unsymmetrically substituted Sondheimer-Wong diynes could be synthesized in a stepwise manner by isolation of the heterocoupled vinyl sulfone intermediates followed by their treatment with LDA. The UV-vis absorption spectra and cyclic voltammograms of the substituted Sondheimer-Wong diynes were recorded. The electronic effect of substituents on the diynes was investigated in their click reactions and nucleophilic and electrophilic additions.

Double elimination protocol for synthesis of 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctene

Orita, Akihiro,Hasegawa, Daiki,Nakano, Takehiko,Otera, Junzo

, p. 2000 - 2004 (2007/10/03)

A new method for constructing 5,6,11,12-tetradehydrodibenzo[a,e]-cyclooctene is described on the basis of one-pot double elimination protocol. The target molecule, which is the smallest cyclophane with alternate arylene-]ethynylene linkage, is synthesized in 61% yield through oxidative dimerization of ortho-(phenylsulfonylmethyl)-benzaldehyde. The initial carbon-carbon bond formation between sp3 carbons followed by stepwise conversion to sp2 and finally sp carbons bypasses the difficulty encountered in direct coupling of the sp carbon in the terminal acetylene. The mechanism of this process is discussed. The Wittig-Horner-type coupling is a key reaction employed for the carbon-carbon bond formation. Generation of (E)-vinylsulfone moiety in the first coupling between a-sulfonyl anion and aldehyde functions is crucial for the effective second coupling to complete the cyclization. The syn-elimination of the (E)-vinylsulfone moieties in the cyclized intermediate furnishes the acetylenic bonds.

α-(METHYLTHIO)BENZYL SULFONES AS SYNTHETIC INTERMEDIATES. PART IV. SOME NEW o-,m- AND p-SUBSTITUTED α-(METHYLTHIO)- AND α,α'-BIS-(METHYLTHIO)-BENZYL SULFONES

Wladislaw, B.,Marzorati, L.,Ebeling, G.

, p. 163 - 167 (2007/10/02)

The reaction of the meta nitro, methoxy and cyano substituted benzylic sulfones with an excess of dimethyl disulfide in the presence of NaH/DMSO, affords the corresponding α-monosulfenylated derivatives.However, no reaction occurs with the corresponding o-substituted sulfones.A new procedure is developed using S-methyl methanethiosulfonate, in excess, in the "phase transfer condition" which lead for the o-nitro and o-methoxy substituted sulfones to the α-monosulfenylated derivatives and for the o-cyano as well as p- and m-nitro, m-methoxy and m-cyano substituted benzylic sulfones to the correponding α,α'-bis-sulfenylated derivatives.

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