Sodium toluene-4-sulphinate

Base Information

• Chemical Name: Sodium toluene-4-sulphinate
• CAS No.: 824-79-3
• Deprecated CAS: 134311-31-2,137788-67-1,143650-49-1,163077-66-5,53271-66-2,709654-41-1,1423065-40-0,167163-37-3,137788-67-1,143650-49-1,163077-66-5,53271-66-2,709654-41-1
• Molecular Formula: C7H8O2S.Na
• Molecular Weight: 178.187
• Hs Code.: 2904.90
• European Community (EC) Number: 212-538-5
• UNII: 7CKU5W4TRM
• DSSTox Substance ID: DTXSID3061180
• Nikkaji Number: J48.039H
• Wikidata: Q27268078
• Mol file: 824-79-3.mol

Synonyms:Benzenesulfinicacid, 4-methyl-, sodium salt (9CI);p-Toluenesulfinic acid, sodium salt(6CI,8CI);4-Methylbenzenesulfinic acid sodium salt;NSC 4871;NSC 9077;Sodium4-methylbenzenesulfinate;Sodium 4-toluenesulfinate;Sodiump-methylbenzenesulfinate;Sodium p-toluenesulfinate;Sodium p-tolylsulfinate;

Chemical Property of Sodium toluene-4-sulphinate

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0-0.001Pa at 20-50℃
• Melting Point: >300 °C(lit.)
• Boiling Point: 340 °C at 760 mmHg
• Flash Point: 159.4 °C
• PSA: 59.34000
• Density: 1.399-1.405 at 20℃
• LogP: 2.09870
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.00644492
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Sodium p-toluenesulfinate purum, anhydrous, ≥96.0% (NT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)[O-].[Na+]
• Uses: Sodium p-toluenesulfinate can be used as intermediate of pharmaceutical and dispersal dyes, and also can be used as curing agent of grouting material. p-Toluenesulfinic acid sodium salt is used as an intermediate for the preparation of pharmaceuticals and dispersal dyes. It acts as a curing agent of grouting material. It is also used as a discharge medium of dyes and pigments. Further, it serves as a chemical intermediate in the production of fluorescent pigments and fabric adhesive. In addition to this, it is used as an electroplating brightening agent and curing agent.

Technology Process of Sodium toluene-4-sulphinate

There total 118 articles about Sodium toluene-4-sulphinate 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: 96.6%

p-toluene sulfinic acid (536-57-2) → sodium 4-methylbenzenesulfinate (824-79-3)

Guidance literature:

With sodium hydroxide; In methanol; water; at 40 ℃; for 2h;

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-toluenesulfonyl chloride (98-59-9) → sodium 4-methylbenzenesulfinate (824-79-3)

Guidance literature:

p-toluenesulfonyl chloride; With sodium hydrogencarbonate; sodium sulfite; In water; at 70 - 80 ℃; for 1h;

formaldehyd; at 90 ℃;

Reference yield: 95.0%

toluene (108-88-3,15644-74-3,16713-13-6) → sodium 4-methylbenzenesulfinate (824-79-3)

Guidance literature:

toluene; With aluminum (III) chloride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In dichloromethane; at 0 ℃; for 2h;

With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃;

DOI:10.1016/j.tetlet.2018.01.081

upstream raw materials:

ethanol

S-(4-toluenesulfonyl) 4-toluenethiosulfonate

sodium 2-naphtholate

(2-nitro-phenyl)-(toluene-4-sulfonyloxy)-acetonitrile

Downstream raw materials:

2-(p-tolylsulfonyl)ethanol

4-chloro-1-nitro-2-tosylbenzene

4-(p-toluylsulfonyl)butyric acid

4-(4-methylphenylsulfonylmethyl)pyridine

Refernces

Preparation of (E)-4-aryl-1,1,1-trifluoro-3-tosylbut-3-en-2-ones as fluorinated building blocks and their application in ready and highly stereoselective routes to trans-2,3-dihydrofurans substituted with trifluoromethyl and sulfonyl groups

10.1002/ejoc.201200180

The research focuses on the synthesis of (E)-4-aryl-1,1,1-trifluoro-3-tosylbut-3-en-2-ones, which are fluorinated building blocks, and their application in the highly stereoselective preparation of trans-2,3-dihydrofurans substituted with trifluoromethyl and sulfonyl groups. The experiments involved a two-step process to prepare the fluorinated building blocks, followed by their reaction with arsonium bromides in the presence of Cs2CO3 in CH2Cl2 at reflux conditions, leading to the formation of 4-tosyl-5-trifluoromethyl-trans-2,3-dihydrofurans with good to excellent yields. The reactants included 1-bromo-3,3,3-trifluoropropan-2one, sodium p-toluenesulfinate, aromatic aldehydes, and various arsonium bromides. The analyses used to characterize the synthesized compounds comprised 1H NMR, 13C NMR, 19F NMR, IR spectroscopy, mass spectrometry, and elemental analysis, with X-ray diffraction analysis employed for certain compounds to confirm their stereochemistry.