3-(Methylsulfonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(Methylsulfonyl)phenylboronic acid
• CAS No.: 373384-18-0
• Molecular Formula: C7H9BO4S
• Molecular Weight: 200.023
• Hs Code.: 2931900090
• European Community (EC) Number: 690-414-3
• DSSTox Substance ID: DTXSID70378541
• Wikidata: Q72490804
• Mol file: 373384-18-0.mol

Synonyms:373384-18-0;3-(Methylsulfonyl)phenylboronic acid;(3-(Methylsulfonyl)phenyl)boronic acid;3-Methylsulfonylphenylboronic acid;(3-methylsulfonylphenyl)boronic Acid;3-(Methanesulfonyl)phenylboronic acid;(3-methanesulfonylphenyl)boronic acid;MFCD03092935;3-methylsulfonylphenyl boronic acid;BORONIC ACID, [3-(METHYLSULFONYL)PHENYL]-;[3-(methylsulfonyl)phenyl]boronic acid;3-(METHYLSULFONYL)BENZENEBORONIC ACID;3-Methanesulfonylphenylboronic acid;3-(Methanesulfonyl)phenyl boronic acid;3-(methylsulfonyl)-benzeneboronic acid;SCHEMBL6096;DTXSID70378541;HZFFUMBZBGETES-UHFFFAOYSA-N;3-methylsulfonyl phenylboronic acid;3-methylsulfonyl-phenylboronic acid;3-methylsulfonylphenyl-boronic acid;3-methanesulfonyl phenylboronic acid;3-methanesulfonyl-phenylboronic acid;3-methanesulfonylphenyl boronic acid;CS-D1042;STR08174;3-Methylsulfonylbenzene boronic acid;3-(Methanesulphonyl)phenylboronicacid;3-methanesulfonyl phenyl boronic acid;3-methanesulfonyl-phenyl boronic acid;BBL100982;STL554776;(3-(Methylsulfonyl)phenyl)boronicacid;(3-methylsulfonylphenyl) boronic acid;(3-methylsulfonylphenyl)-boronic acid;3-(methylsulfonyl) phenylboronic acid;3-(methylsulfonyl)phenyl boronic acid;3-(methylsulfonyl)phenyl-boronic acid;3-Methylsulfonyl benzene boronic acid;(3-methanesulfonyl phenyl)boronic acid;3-(methanesulfonyl)benzeneboronic acid;3-(methylsulphonyl)phenyl-boronic acid;AKOS005256296;AB13178;3-(methanesulfonyl) phenyl boronic acid;3-(methanesulfonyl)-benzeneboronic acid;3-(methanesulfonyl)-phenyl boronic acid;3-(methanesulphonyl)-phenyl boronic acid;NCGC00249556-01;(3-(methylsulfonyl) phenyl) boronic acid;SY010915;AM20050296;FT-0605415;EN300-221438;3-(Methylsulfonyl)phenylboronic acid, AldrichCPR;A823602;A1-00196;J-506481;Z1269173389;(3-methylsulfonylphenyl)boronic acid

Chemical Property of 3-(Methylsulfonyl)phenylboronic acid

Chemical Property:

• Melting Point: 102-110 °C
• Boiling Point: 478.3 °C at 760 mmHg
• PKA: 7.11±0.10(Predicted)
• Flash Point: 243.1 °C
• PSA: 82.98000
• Density: 1.39 g/cm³
• LogP: -0.14930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.0314601
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

99.0% ^*data from raw suppliers

3-(Methylsulfonyl)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Methylsulfonyl)phenylboronic acid

There total 1 articles about 3-(Methylsulfonyl)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:

→ 3-(methanesulfonyl)phenylboronic acid (373384-18-0)

Guidance literature:

Reference yield: 91.0%

1,8-dichloro-5,6-dihydrobenzo[f]quinazoline-3,9-diamine (1040280-91-8) + 3-(methanesulfonyl)phenylboronic acid (373384-18-0) → 8-chloro-1-[3-(methylsulfonyl)phenyl]-5,6-dihydrobenzo[f]quinazoline-3,9-diamine (1040281-01-3)

Guidance literature:

With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 100 ℃;

Reference yield: 90.0%

(Z)-3-chloro-3-(4-fluorophenyl)-2-propenenitrile (126417-77-4) + 3-(methanesulfonyl)phenylboronic acid (373384-18-0) → (E)-3-(4-Fluoro-phenyl)-3-(3-methanesulfonyl-phenyl)-acrylonitrile (914386-41-7)

Guidance literature:

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium tri-tert-butyl phosphine tetrafluoroborate; In tetrahydrofuran; at 40 ℃;

Downstream raw materials:

1-(4-tert-butyl-phenyl)-6-chloro-3-(3-methanesulfonyl-phenoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester

4-(2-chloro-7-methyl-6-(3-(methylsulfonyl)phenyl)thieno[3,2-d]pyrimidin-4-yl)morpholine

2-chloro-6-(3-(methylsulfonyl)phenyl)-4-morpholinothieno[3,2-d]pyrimidine

C₂₅H₂₆F₃N₅O₄S

Refernces