2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol
• CAS No.: 93110-24-8
• Molecular Formula: C14H21ClOS
• Molecular Weight: 272.839
• DSSTox Substance ID: DTXSID20538830
• Wikidata: Q82414384

Synonyms:93110-24-8;2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol;SCHEMBL10870074;DTXSID20538830

Chemical Property of 2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 272.1001642
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCl

Technology Process of 2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol

There total 1 articles about 2,6-Di-tert-butyl-4-(chlorosulfanyl)phenol 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:

4,4'-dithiobis(2,6-di-tert-butylphenol) (6386-58-9) → 3,5-Di-tert-butyl-4-hydroxybenzenesulfenyl Chloride (93110-24-8)

Guidance literature:

With chlorine; In tetrachloromethane; at -15 - -10 ℃; for 0.25h;

DOI:10.1021/jo00200a052

Reference yield: 89.0%

3,5-Di-tert-butyl-4-hydroxybenzenesulfenyl Chloride (93110-24-8) → 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone (2455-14-3,74978-25-9)

Guidance literature:

With triethylamine; In n-heptane; for 72h; Mechanism; Ambient temperature;

DOI:10.1021/jo00200a052

Reference yield: 68.0%

3,5-Di-tert-butyl-4-hydroxybenzenesulfenyl Chloride (93110-24-8) + phosphorous acid trimethyl ester (121-45-9) → S-(3,5-di-tert-butyl-4-hydroxyphenyl)-O,O-dimethyl phosphorothiolate

Guidance literature:

In tetrachloromethane; -20 deg C to room temperature;

upstream raw materials:

4,4'-dithiobis(2,6-di-tert-butylphenol)

Downstream raw materials:

S-(3,5-di-tert-butyl-4-hydroxyphenyl)-O,O-diphenyl phosphorothiolate

3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

4-chloro-2,6-di-tert-butylphenol

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