(2-(Methylsulfonamido)phenyl)boronic acid

Base Information

• Chemical Name: (2-(Methylsulfonamido)phenyl)boronic acid
• CAS No.: 756520-78-2
• Molecular Formula: C7H10 B N O4 S
• Molecular Weight: 215.038
• Hs Code.: 2935009090
• European Community (EC) Number: 809-790-9
• DSSTox Substance ID: DTXSID80378532
• Wikidata: Q72488890
• Mol file: 756520-78-2.mol

Synonyms:756520-78-2;(2-(Methylsulfonamido)phenyl)boronic acid;2-METHANESULFONYLAMINOPHENYLBORONIC ACID;2-METHYLSULFONYLAMINOPHENYLBORONIC ACID;[2-(methanesulfonamido)phenyl]boronic acid;2-(Methanesulfonylamino)phenylboronic acid;(2-methanesulfonamidophenyl)boronic Acid;2-(Methylsulphonylamino)benzeneboronic acid;SCHEMBL415763;2-(Mesylamino)phenylboronic acid;AMY1025;DTXSID80378532;RPRMOEFOTPSWBO-UHFFFAOYSA-N;MFCD02179471;N-(2-Boronophenyl)methanesulphonamide;AKOS004119254;AB11206;BS-2011;CS-W014911;2-methylsulfonylaminophenyl boronic acid;(2-(Methylsulfonamido)phenyl)boronicacid;NCGC00249532-01;(2-(methylsulfonamido) phenyl)boronic acid;[2-(methylsulfonylamino)phenyl]boronic acid;{2-[(Methanesulfonyl)amino]phenyl}boronic acid;E76361;A838478;2-Methanesulfonylaminophenylboronic acid, AldrichCPR;2-(methylsulfonylamino)phenylboronic acid, AldrichCPR

Chemical Property of (2-(Methylsulfonamido)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 4.9E-08mmHg at 25°C
• Melting Point: 116-120°C
• Refractive Index: 1.582
• Boiling Point: 426.6°C at 760 mmHg
• Flash Point: 211.8°C
• PSA: 95.01000
• Density: 1.42g/cm³
• LogP: -0.10830
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.0423591
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

2-Methanesulfonylaminophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1NS(=O)(=O)C)(O)O

Technology Process of (2-(Methylsulfonamido)phenyl)boronic acid

There total 1 articles about (2-(Methylsulfonamido)phenyl)boronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 16.0%

2-aminophenylboronic acid (5570-18-3) + methanesulfonyl chloride (124-63-0) → (2-(methylsulfonyl)aminophenyl)boronic acid (756520-78-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 87.0%

(2-(methylsulfonyl)aminophenyl)boronic acid (756520-78-2) + 8-bromo-1-isopropyl-1,5-dihydrobenzo[e][1,4]oxazepin-2(3H)-one → N-(2-(1-isopropyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-8-yl)phenyl)methanesulfonamide

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 150 ℃; for 0.5h; Inert atmosphere;

DOI:10.3390/molecules26216648

Reference yield: 85.0%

(2-(methylsulfonyl)aminophenyl)boronic acid (756520-78-2) + C8H6ClN3O → 2-(5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl)benzenamine-N-(methyl sulfonyl)

Guidance literature:

With [1,1-bis(di-tert-butylphosphino)ferrocene]palladium(II)dichloride; cesium acetate; In N,N-dimethyl-formamide; at 90 ℃; for 15h; Sealed tube;

DOI:10.1002/jhet.2277

upstream raw materials:

2-aminophenylboronic acid

methanesulfonyl chloride

Downstream raw materials:

1-(2'-methanesulfonylaminobiphenyl-4-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

N-[2-(2-{4-[4-((S)-2-hydroxy-propyl)-piperazin-1-yl]-2-methoxy-phenylamino}-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-N-methyl-methanesulfonamide

N-(2-{2-[2-methoxy-4-(4-morpholin-4-yl-piperidin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-phenyl)-N-methyl-methanesulfonamide

N-[2-(2-methanesulfinyl-pyrrolo[2,1-f][1,2,4]-triazin-7-yl)-phenyl]-methanesulfonamide