Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto-

Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto- - Names and Identifiers

Name	2,6-di-tert-butyl-4-mercaptophenol
Synonyms	213-451-5 Warfarin-002 2,6-DI-TERT-BUTYL-4-THIOPHENOL 2,6-ditert-butyl-4-sulfanylphenol 2,6-Di-tert-butyl-4-mercaptophenol 2,6-di-tert-butyl-4-sulfanylphenol 2,6-di-tert-butyl-4-mercaptophenol 2,6-ditert-butyl-4-sulfanyl-phenol 4-Mercapto-2,6-di-tert-butylphenol 4-hydroxy-3,5-di-tert-butylthiophenol 2,6-Bis(2-methyl-2-propanyl)-4-sulfanylphenol Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto-
CAS	950-59-4
EINECS	213-451-5
InChI	InChI=1/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3

Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto- - Physico-chemical Properties

Molecular Formula	C14H22OS
Molar Mass	238.39
Density	1.019g/cm³
Boling Point	302.2°C at 760 mmHg
Flash Point	136.6°C
Solubility	Dichloromethane, Diethylether, Ethyl Acetate, Hexanes
Vapor Presure	0.000559mmHg at 25°C
Refractive Index	1.537

Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto- - Reference Information

Application

2, 6-di-tert-butyl-4-mercaptophenol can be used as a pharmaceutical synthesis intermediate, can be used as a laboratory for research and development and chemical pharmaceutical synthesis process.

preparation

at 0 °c, 2, A solution of 6-di-tert-butyl-4-thiocyanophenol (10.0g, crude) in dry THF(30ml) was slowly added dropwise to lithium aluminum tetrahydro (2.0g,52.6mmol). Of THF(50ml) in suspension. The reaction was maintained at 0 °c for 5 hours, quenched by slow addition of EtOAc(20ml), followed by addition of 3n HCl(50ml),EtOAc(200ml) and separation of the organic phase. The organic phase was washed with saturated NaHCO3 and brine, respectively, and dried over anhydrous sodium sulfate. The crude product was subjected to column chromatography (silica gel, EtOAc:PE = 1:10 to 1:5) to give the product 2, 6-di-tert-butyl-4-mercaptophenol (5.4g), yellow waxy solid.

Last Update：2024-04-09 20:52:54