Name: Name:4-Methanesulfonyl-2-methylaniline
Brand: AABLOCKS
SKU: AA003HK5
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003HK5

Chemical Name: 4-Methanesulfonyl-2-methylaniline

CAS Number: 252562-00-8

Molecular Formula: C8H11NO2S

Molecular Weight: 185.2434

MDL Number: MFCD09909541

SMILES: Nc1ccc(cc1C)S(=O)(=O)C

Properties

Storage: Inert atmosphere;Room Temperature;

Complexity: 242

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.5

Downstream Synthesis Route

1-(methylsulfonyl)-3-methyl-4-nitrobenzene

252562-00-8

[1]Locationinpatent:schemeortableLunniss,ChristopherJ.;Cooper,AnthonyW.J.;Eldred,ColinD.;Kranz,Michael;Lindvall,Mika;Lucas,FionaS.;Neu,Margarete;Preston,AlexG.S.;Ranshaw,LisaE.;Redgrave,AlisonJ.;EdRobinson;Shipley,TracyJ.;Solanke,YemisiE.;Somers,DonO.;Wiseman,JoanneO.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#5,p.1380-1385]

[2]Pan,Chenghao;Nie,Wenwen;Wang,Jiao;Du,Jiamin;Pan,Zhichao;Gao,Jian;Lu,Yang;Che,Jinxin;Zhu,Hong;Dai,Haibin;Chen,Binhui;He,Qiaojun;Dong,Xiaowu[EuropeanJournalofMedicinalChemistry,2021,vol.225]

252562-00-8

87-13-8

C16H21NO6S

[1]Locationinpatent:schemeortableLunniss,ChristopherJ.;Cooper,AnthonyW.J.;Eldred,ColinD.;Kranz,Michael;Lindvall,Mika;Lucas,FionaS.;Neu,Margarete;Preston,AlexG.S.;Ranshaw,LisaE.;Redgrave,AlisonJ.;EdRobinson;Shipley,TracyJ.;Solanke,YemisiE.;Somers,DonO.;Wiseman,JoanneO.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#5,p.1380-1385]

98-98-6

252562-00-8

N-(2-methyl-4-(methylsulfonyl)phenyl)picolinamide

[1]Ju,Long;Yao,Jinzhong;Wu,Zaihong;Liu,Zhanxiang;Zhang,Yuhong[JournalofOrganicChemistry,2013,vol.78,#21,p.10821-10831]

98-98-6

252562-00-8

C16H16N2O5S

[1]Ju,Long;Yao,Jinzhong;Wu,Zaihong;Liu,Zhanxiang;Zhang,Yuhong[JournalofOrganicChemistry,2013,vol.78,#21,p.10821-10831]

252562-00-8

1-{4-(2-{3-(4-methanesulfonyl-2-methylphenyl)aminoprop-1-yn-1-yl}-1-(2,2,2-trifluoroethyl)-1H-indol-4-yl)aminopiperidin-1-yl}-3-methoxypropan-2-ol

[1]CurrentPatentAssignee:PMVPHARMACEUTICALSINC-WO2021/61643,2021,A1