4-Mercaptophenylboronic acid

Base Information

• Chemical Name: 4-Mercaptophenylboronic acid
• CAS No.: 237429-33-3
• Molecular Formula: C6H7BO2S
• Molecular Weight: 153.997
• Hs Code.: 29319090
• European Community (EC) Number: 808-137-5
• DSSTox Substance ID: DTXSID20403236
• Nikkaji Number: J1.117.631C
• Wikidata: Q72488623
• Mol file: 237429-33-3.mol

Synonyms:4-mercaptophenylboronic acid

Chemical Property of 4-Mercaptophenylboronic acid

Chemical Property:

• Vapor Pressure: 7.17E-05mmHg at 25°C
• Melting Point: >230 °C(lit.)
• Refractive Index: 1.594
• Boiling Point: 329.4 °C at 760 mmHg
• PKA: 6.20±0.10(Predicted)
• Flash Point: 153 °C
• PSA: 79.26000
• Density: 1.27 g/cm³
• LogP: -0.34490
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.0259808
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

4-Mercaptophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Mercaptophenylboronic acid

There total 5 articles about 4-Mercaptophenylboronic 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: 88.0%

4-[(dimethyl-tert-butyl-silyl)thio]-phenylboronic acid (237429-34-4) → 4-mercaptophenylboronic acid (237429-33-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0022-328X(99)00086-8

Reference yield: 88.0%

trifluoroacetic acid (76-05-1) + 4-[(dimethyl-tert-butyl-silyl)thio]-phenylboronic acid (237429-34-4) → 4-mercaptophenylboronic acid (237429-33-3)

Guidance literature:

In dichloromethane; equimolar amts., stirring overnight; evapn. (reduced pressure), crystn. (water);

DOI:10.1016/S0022-328X(99)00086-8

Reference yield:

C10H13BOS → 4-mercaptophenylboronic acid (237429-33-3)

Guidance literature:

With sodium hydroxide; In water; pH=11 - 12; Large scale;

upstream raw materials:

4-[(dimethyl-tert-butyl-silyl)thio]-phenylboronic acid

para-bromobenzenethiol

(4-bromophenylsulfanyl)-tert-butyldimethylsilane

trifluoroacetic acid

Downstream raw materials:

4-(t-butyloxycarbonylmethylthio)-phenyl boronic acid

[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}thio)phenyl]boronic acid

4-(4,4'-dimethoxybenzhydryl)thiophenylboronic acid

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol