Sodium;4-chlorobenzenesulfinic acid

Base Information

• Chemical Name: Sodium;4-chlorobenzenesulfinic acid
• CAS No.: 14752-66-0
• Molecular Formula: C6H4ClNaO2S
• Molecular Weight: 198.605
• Hs Code.: 29309090
• NSC Number: 67146
• Mol file: 14752-66-0.mol

Synonyms:sodium;4-chlorobenzenesulfinic acid;NSC-67146;NSC67146

Chemical Property of Sodium;4-chlorobenzenesulfinic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 6.22E-06mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 363.9 °C at 760 mmHg
• Flash Point: 173.9 °C
• PSA: 59.34000
• LogP: 2.44370
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.9596475
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

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

Sodium 4-Chlorobenzenesulfinate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)O)Cl.[Na+]

Technology Process of Sodium;4-chlorobenzenesulfinic acid

There total 13 articles about Sodium;4-chlorobenzenesulfinic 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: 98.0%

chlorobenzene (108-90-7) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

chlorobenzene; With aluminum (III) chloride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In 1,2-dichloro-ethane; at 25 ℃; for 2h;

With sodium hydrogencarbonate; In water; 1,2-dichloro-ethane; at 25 ℃;

DOI:10.1016/j.tetlet.2018.01.081

Reference yield: 96.0%

4-chlorobenzenesulfonyl chloride (98-60-2) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 80 ℃; for 4h;

Reference yield: 91.0%

p-Chlorothiophenol (106-54-7) → sodium p-chlorobenzenesulphinate (14752-66-0)

Guidance literature:

p-Chlorothiophenol; With sodium acetate; acrylic acid methyl ester; In tetrahydrofuran; water; at 20 ℃;

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

With sodium hydroxide; In tetrahydrofuran; methanol; at 0 ℃; Inert atmosphere;

DOI:10.1039/d0cc01576h

upstream raw materials:

phenyl 4-chlorobenzenethiosulfonate

sodium p-chlorothiophenolate

Toluene-4-sulfonic acid 4-chloro-benzenesulfonylmethyl ester

acetylacetone

Downstream raw materials:

1-(4-Chloro-benzenesulfonyl)-1-methoxy-propan-2-one

diisopropyl 1-(4-chlorobenzenesulfonyl)hydrazine-1,2-dicarboxylate

2-(4-chlorobenzenesulfonyl)acetonitrile

S-(4-Chlorphenyl)-S'-isopropyl-trithiocarbonat-S,S-dioxid

Refernces

• 1、 Lv, Fan,Guo, Xing,Wu, Hao,Li, Heng,Tang, Bing,Yu, Changjiang,Hao, Erhong,Jiao, Lijuan. "Direct sulfonylation of BODIPY dyes with sodium sulfinates through oxidative radical hydrogen substitution at the α-position". . p. 15577 - 15580. Retrieved 2020.
• 2、 Chen, Qian,Gao, Yang,Hu, Yifan,Huang, Yuanting,Li, Xianwei,Zhao, Xi. "A three-component reaction of arynes, sodium sulfinates, and aldehydes toward 2-sulfonyl benzyl alcohol derivatives". . p. 7066 - 7073. Retrieved 2021.
• 3、 Mulina, Olga M.,Ilovaisky, Alexey I.,Opatz, Till,Terent'ev, Alexander O.. "Photoredox-catalyzed synthesis of N-unsubstituted enaminosulfones from vinyl azides and sulfinates". supporting information. . Retrieved 2021/01/11.
• 4、 Li, Yuxiu,Li, Xiangqian,Li, Xiaowei,Shi, Dayong. "Visible-light-promotedE-selective synthesis of α-fluoro-β-arylalkenyl sulfidesviathe deoxygenation/isomerization process". supporting information. p. 2152 - 2155. Retrieved 2021/03/06.