4-(Methylsulfonylamino)phenylboronic acid

Base Information

• Chemical Name: 4-(Methylsulfonylamino)phenylboronic acid
• CAS No.: 380430-57-9
• Molecular Formula: C7H10BNO4S
• Molecular Weight: 215.038
• Hs Code.: 2840200000
• European Community (EC) Number: 687-024-0
• DSSTox Substance ID: DTXSID20378536
• Wikidata: Q82168023
• Mol file: 380430-57-9.mol

Synonyms:380430-57-9;4-(Methylsulfonylamino)phenylboronic acid;4-METHYLSULFONYLAMINOPHENYLBORONIC ACID;4-(Methylsulfonamido)phenylboronic Acid;4-Methanesulfonylaminophenylboronic acid;[4-(methanesulfonamido)phenyl]boronic acid;4-(Methanesulfonylamino)phenylboronic acid;(4-methanesulfonamidophenyl)boronic Acid;(4-(METHYLSULFONAMIDO)PHENYL)BORONIC ACID;MFCD02179473;4-(Methylsulfonylamino)phenylboronicacid;BORONIC ACID, [4-[(METHYLSULFONYL)AMINO]PHENYL]-;N-4-METHANESULFONAMIDEPHENYLBORONIC ACID;4-(METHYLSULFONYLAMINO)BENZENEBORONIC ACID;4-[(Methylsulphonyl)amino]benzeneboronic acid;SCHEMBL131626;DTXSID20378536;NDVJJEADFLTFCD-UHFFFAOYSA-N;AMY29945;AKOS004119253;BS-2000;CS-W002909;4-methylsulfonylamino-phenylboronic acid;4-methylsulfonylaminophenyl boronic acid;4-(methylsulfonamido) phenylboronic acid;NCGC00249533-01;(4-methanesulfon-amidophenyl)boronic acid;SY024856;4-(methylsulfonylamino)phenyl boronic acid;4-(methylsulfonylamino)phenyl-boronic acid;(4-(methylsulfonamido)phenyl) boronic acid;[4-(methylsulfonylamino)phenyl]boronic acid;4-(methanesulfonylamino)-phenylboronic acid;4-(methanesulfonylamino)phenyl boronic acid;FT-0687757;{4-[(methylsulfonyl)amino]phenyl}boronic acid;{4-[(Methanesulfonyl)amino]phenyl}boronic acid;{4-[(methylsulfonyl)amino]-phenyl}boronic acid;EN300-1086707;N-4-Methanesulfonamidephenylboronic acid, >=95%;A823981;4-(DIHYDROXYBORYL)-N-(METHYLSULFONYL)PHENYLAMINE;F0001-1087;Z1269191054

Chemical Property of 4-(Methylsulfonylamino)phenylboronic acid

Chemical Property:

• Vapor Pressure: 7.21E-08mmHg at 25°C
• Melting Point: 148-154°C
• Refractive Index: 1.582
• Boiling Point: 421.8 °C at 760 mmHg
• Flash Point: 208.9 °C
• PSA: 95.01000
• Density: 1.42 g/cm³
• LogP: -0.10830
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.0423591
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Methylsulfonylamino)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)NS(=O)(=O)C)(O)O
• Uses: Reactant for preparation of:? ;Potent and selective inhibitors of IKK-β1? ;Inhibitors for treatment of osteoporosis2? ;Inhibitors of human farnesyl pyrophosphate synthase3? ;Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors4 Reactant for preparation of:Potent and selective inhibitors of IKK-βInhibitors for treatment of osteoporosisInhibitors of human farnesyl pyrophosphate synthaseSuzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors

Technology Process of 4-(Methylsulfonylamino)phenylboronic acid

There total 2 articles about 4-(Methylsulfonylamino)phenylboronic 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: 99.0%

methanesulfonyl chloride (124-63-0) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline (214360-73-3) → 4-(methylsulfonylamino)phenyl boronic acid (380430-57-9)

Guidance literature:

methanesulfonyl chloride; 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline; With pyridine; In dichloromethane; at 0 - 20 ℃;

With water; In dichloromethane;

Reference yield:

(4-aminophenyl)boronic acid hydrochloride (80460-73-7) + methanesulfonyl chloride (124-63-0) → 4-(methylsulfonylamino)phenyl boronic acid (380430-57-9)

Guidance literature:

With sodium hydrogencarbonate; In water; at 5 - 20 ℃; for 2h; pH=7.2; Cooling with ice;

Reference yield: 96.0%

p-methoxybenzyl chloride (824-94-2) + 4-(methylsulfonylamino)phenyl boronic acid (380430-57-9) → N-[4-(4-methoxybenzyl)phenyl]methanesulfonamide (1154417-76-1)

Guidance literature:

With potassium carbonate; palladium diacetate; triphenylphosphine; In 1,2-dimethoxyethane; ethanol; water; at 90 ℃; for 48h;

upstream raw materials:

methanesulfonyl chloride

4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline

(4-aminophenyl)boronic acid hydrochloride

Downstream raw materials:

C₁₆H₁₃N₃O₄S

N-(4-(2-chloropyrimidin-4-yl)phenyl)methanesulfonamide

Refernces

• 1、 -. "USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS". Page/Page column 30. . Retrieved 2010/02/07.