2-(Tert-butylamino)sulfonylphenylboronic acid

Base Information

• Chemical Name: 2-(Tert-butylamino)sulfonylphenylboronic acid
• CAS No.: 150691-04-6
• Molecular Formula: C10H16BNO4S
• Molecular Weight: 257.118
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60407374
• Nikkaji Number: J1.628.487D
• Wikidata: Q72502304
• Mol file: 150691-04-6.mol

Synonyms:150691-04-6;(2-(N-(tert-Butyl)sulfamoyl)phenyl)boronic acid;2-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID;[2-(tert-butylsulfamoyl)phenyl]boronic Acid;2-(t-Butylamino)sulfonylphenylboronic acid;2-(N-TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID;MFCD01318943;Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-;2-[(tert-Butylamino)sulfonyl]phenylboronic acid, AldrichCPR;TrimethyltinHydroxide;Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-;2-(TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID;SCHEMBL519774;DTXSID60407374;TUEIURIZJQRMQE-UHFFFAOYSA-N;BCP19765;AKOS004119298;2-Borono-N-tert-butylbenzenesulfonamide;AB08766;CS-W005892;2-tert-butylsulfamoyl-phenylboronic acid;2-tert-butylsulfamoylphenyl boronic acid;2-(N-t-Butylsulfamoyl)phenylboronic Acid;2-t-butylaminosulfonyl-benzeneboronic acid;DS-17394;SY018835;2-(t-butylaminosulfonyl)phenylboronic acid;2-(t-butylamino)sulfonylphenyl boronic acid;2-(t-butylamino-sulfonyl)phenylboronic acid;2-(tert-butylsulfamoyl)phenyl(dihydroxy)borane;2-(tert-butylaminosulfonyl)-phenyl boronic acid;2-(tert-butylsulfamoyl)phenyl-(dihydroxy)borane;2-[(tert-butylamino)sulfonyl]phenylboronic acid;2-[N-(tert-Butyl)sulfamoyl]benzeneboronic acid;A26774;(2-(N-(tert-Butyl)sulfamoyl)phenyl)boronicacid;(2-(N-(tert-butyl)sulfamoyl)phenyl) boronic acid;(2-(N-(tert-butyl)sulfamoyl)phenyl)-boronic acid;2-[(tert-butyl amino)sulfonyl]phenyl boronic acid;N-TERT-BUTYLBENZENESULFONAMIDE-2-BORONIC ACID;{2-[(tert-butylamino)sulfonyl]phenyl}boronic acid;2-(tert-Butylsulfamoyl)phenylboronic Acid

Chemical Property of 2-(Tert-butylamino)sulfonylphenylboronic acid

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Melting Point: 118-119 °C
• Refractive Index: 1.554
• Boiling Point: 443.205 °C at 760 mmHg
• PKA: 8.00±0.53(Predicted)
• Flash Point: 221.843 °C
• PSA: 95.01000
• Density: 1.283 g/cm³
• LogP: 0.91490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 257.0893093
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

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

2-(t-Butylamino)sulfonylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1S(=O)(=O)NC(C)(C)C)(O)O

Technology Process of 2-(Tert-butylamino)sulfonylphenylboronic acid

There total 7 articles about 2-(Tert-butylamino)sulfonylphenylboronic 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: 64.0%

→ 2-(tert-butylamino)sulfonylphenylboronic acid (150691-04-6)

Guidance literature:

Reference yield: 60.0%

N-tert-butylbenzenesulfonamide (2512-24-5) → 2-(tert-butylamino)sulfonylphenylboronic acid (150691-04-6)

Guidance literature:

N-tert-butylbenzenesulfonamide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h;

With Triisopropyl borate; In tetrahydrofuran; hexane; at 20 ℃; for 3.5h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 20 ℃;

Reference yield: 42.0%

Trimethyl borate (121-43-7,63156-11-6) + N-tert-butylbenzenesulfonamide (2512-24-5) → 2-(tert-butylamino)sulfonylphenylboronic acid (150691-04-6)

Guidance literature:

N-tert-butylbenzenesulfonamide; With n-butyllithium; In tetrahydrofuran; hexane; at -5 - 22 ℃; for 1h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; at -5 - 22 ℃; for 3h;

With ammonium chloride; In tetrahydrofuran; hexane; water;

upstream raw materials:

N-tert-butylbenzenesulfonamide

benzenesulfonyl chloride

Triisopropyl borate

Trimethyl borate

Downstream raw materials:

2-(6-amino-3-pyrimidinyl)benzene-tert-butylsulfonamide

2-(5-amino-pyridin-2-yl)-N-tert-butyl-benzenesulfonamide

2-Amino-5-(2-t-butylaminosulfonyl-phenyl)-pyridine

methyl 5-[[2'-(aminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-butyl-3-methyl-1H-pyrazole-4-carboxylate

Refernces

• 1、 -. "QUINAZOLINAMIDE DERIVATIVES". Page/Page column 41. . Retrieved 2011/10/13.
• 2、 Wallinder, Charlotta,Botros, Milad,Rosenstr?m, Ulrika,Guimond, Marie-Odile,Beaudry, Hélène,Nyberg, Fred,Gallo-Payet, Nicole,Hallberg, Anders,Alterman, Mathias. "Selective angiotensin II AT2 receptor agonists: Benzamide structure-activity relationships". . p. 6841 - 6849. Retrieved 2008/12/22.