4-BENZYLTHIOPHENYLBORONIC ACID

Base Information

• Chemical Name: 4-BENZYLTHIOPHENYLBORONIC ACID
• CAS No.: 1005207-32-8
• Molecular Formula: C13H13BO2S
• Molecular Weight: 244.122
• Hs Code.: 2931900090
• Mol file: 1005207-32-8.mol

Synonyms:4-(BENZYLSULFANYL)PHENYLBORONIC ACID;4-BENZYLTHIOPHENYLBORONIC ACID;AKOS BRN-0551

Chemical Property of 4-BENZYLTHIOPHENYLBORONIC ACID

Chemical Property:

• Melting Point: 148-149 °C(Solv: hexane (110-54-3))
• Boiling Point: 435.4±55.0 °C(Predicted)
• PKA: 8.52±0.17(Predicted)
• PSA: 65.76000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 1.65870

Purity/Quality:

97% ^*data from raw suppliers

4-Benzylthiophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BENZYLTHIOPHENYLBORONIC ACID

There total 3 articles about 4-BENZYLTHIOPHENYLBORONIC 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: 38.0%

→ (4-(benzylsulfanyl)phenyl)boronic acid (1005207-32-8) + C13H13BO3S (1029438-25-2)

Guidance literature:

Reference yield: 15.0%

1-benzylsulphanyl-4-bromobenzene (53136-21-3) + methyl iodide (74-88-4) → (4-(benzylsulfanyl)phenyl)boronic acid (1005207-32-8) + C14H15BO2S (1332344-42-9)

Guidance literature:

1-benzylsulphanyl-4-bromobenzene; With tert.-butyl lithium; In tetrahydrofuran; at -68 ℃; Inert atmosphere;

With Triisopropyl borate; In tetrahydrofuran; at -68 ℃; Inert atmosphere;

methyl iodide; Further stages;

DOI:10.1002/aoc.1822

Reference yield:

C17H21BO2S → (4-(benzylsulfanyl)phenyl)boronic acid (1005207-32-8)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; pentane;

DOI:10.1016/j.tetlet.2010.01.074

upstream raw materials:

1-benzylsulphanyl-4-bromobenzene

methyl iodide

Downstream raw materials:

7-[(4-benzylsulfanyl)phenyl]-7-deaza-2'-deoxyadenosine 5'-O-triphosphate

C₂₂H₂₄N₃O₇PS

C₂₂H₂₃N₃O₄S