Name: Name:3-Cyano-5-methylphenylboronic acid pinacol ester
Brand: AABLOCKS
SKU: AA0016KA
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0016KA

Chemical Name: 3-Cyano-5-methylphenylboronic acid pinacol ester

CAS Number: 1220219-59-9

Molecular Formula: C14H18BNO2

Molecular Weight: 243.1092

MDL Number: MFCD18383798

SMILES: N#Cc1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity: 355

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Downstream Synthesis Route

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

124289-21-0

[1]JournaloftheAmericanChemicalSociety,2007,vol.129,p.15434-15435

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

189161-09-9

[1]JournaloftheAmericanChemicalSociety,2007,vol.129,p.15434-15435

620-22-4

73183-34-3

1220219-59-9

[1]Zeqing,Li;Zhibin,Liang;Yuqiang,Wang;Pei,Yu[ResearchonChemicalIntermediates,2013,vol.39,#4,p.1917-1926]

[2]Murphy,JaclynM.;Liao,Xuebin;Hartwig,JohnF.[JournaloftheAmericanChemicalSociety,2007,vol.129,#50,p.15434-15435]

[3]Liu,Tianfei;Shao,Xinxin;Wu,Yaming;Shen,Qilong[AngewandteChemie-InternationalEdition,2012,vol.51,#2,p.540-543]

[4]Robbins,DanielW.;Hartwig,JohnF.[AngewandteChemie-InternationalEdition,2013,vol.52,#3,p.933-937][Angew.Chem.,2012,vol.125,#3,p.967-971,5]

[5]Yoshida,Suguru;Misawa,Yoshihiro;Hosoya,Takamitsu[EuropeanJournalofOrganicChemistry,2014,vol.2014,#19,p.3991-3995]

[6]Srinivasan,Rajavel;Coyne,AnthonyG.;Abell,Chris[Chemistry-AEuropeanJournal,2014,vol.20,#37,p.11680-11684]

[7]Li,Xuejing;Deng,Xingwang;Coyne,AnthonyG.;Srinivasan,Rajavel[Chemistry-AEuropeanJournal,2019,vol.25,#34,p.8018-8023]

[8]Pei,Xiaocong;Zhou,Guan;Li,Xuejing;Xu,Yuchen;Panicker,ResmiC.;Srinivasan,Rajavel[OrganicandBiomolecularChemistry,2019,vol.17,#23,p.5703-5707]

[9]Nishiyama,Yoshitake;Misawa,Yoshihiro;Hazama,Yuki;Oya,Kazuhiro;Yoshida,Suguru;Hosoya,Takamitsu[Heterocycles,2019,vol.99,#2,p.1053-1072]

[10]Herbert,Simon;Kinzel,Tom;Shen,Qilong;Zhang,Wei;Zhao,Haiwei[JournalofOrganicChemistry,2020,vol.85,#5,p.3596-3604]

887144-97-0

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

261952-04-9

[1]Liu,Tianfei;Shao,Xinxin;Wu,Yaming;Shen,Qilong[AngewandteChemie-InternationalEdition,2012,vol.51,#2,p.540-543]

1220219-59-9

6940-76-7

1442416-14-9

[1]Robbins,DanielW.;Hartwig,JohnF.[AngewandteChemie-InternationalEdition,2013,vol.52,#3,p.933-937][Angew.Chem.,2012,vol.125,#3,p.967-971,5]

1220219-59-9 | 3-Cyano-5-methylphenylboronic acid pinacol ester