2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)phenol]

Base Information

• Chemical Name: 2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)phenol]
• CAS No.: 133786-63-7
• Molecular Formula: C22H30O4S
• Molecular Weight: 390.544
• DSSTox Substance ID: DTXSID60565140
• Nikkaji Number: J1.988.390F
• Wikidata: Q82450089
• Mol file: 133786-63-7.mol

Synonyms:133786-63-7;6,6'-Thiobis(4-(tert-butyl)-2-(hydroxymethyl)phenol);2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)phenol];DTXSID60565140

Chemical Property of 2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)phenol]

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 390.18648061
• Heavy Atom Count: 27
• Complexity: 428

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)CO)C(C)(C)C)O)CO

Technology Process of 2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)phenol]

There total 3 articles about 2,2'-Sulfanediylbis[4-tert-butyl-6-(hydroxymethyl)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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2'-thiobis<4-t-butylphenol> (3273-24-3) → 4,4'-di(tert-butyl)-2,2'-bis(hydroxymethyl)-6,6'-sulfandiyldiphenol (133786-63-7)

Guidance literature:

With potassium hydroxide; In water; at 50 ℃; for 20h; Inert atmosphere;

DOI:10.1039/c5cc00819k

Reference yield: 33.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2'-thiobis<4-t-butylphenol> (3273-24-3) → 4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenylsulfanyl)-6-(hydroxymethyl)phenol (133786-62-6) + 4,4'-di(tert-butyl)-2,2'-bis(hydroxymethyl)-6,6'-sulfandiyldiphenol (133786-63-7)

Guidance literature:

With sodium hydroxide; In methanol; water; at 50 ℃; for 26h;

DOI:10.1246/bcsj.64.576

Reference yield:

para-tert-butylphenol (98-54-4) → 4,4'-di(tert-butyl)-2,2'-bis(hydroxymethyl)-6,6'-sulfandiyldiphenol (133786-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / SCl₂ / CH₂Cl₂ / 1 h / 0 °C

2: 33 percent / 10percent NaOH / methanol; H₂O / 26 h / 50 °C

With sodium hydroxide; sulfur dichloride; In methanol; dichloromethane; water;

DOI:10.1246/bcsj.64.576

upstream raw materials:

formaldehyd

2,2'-thiobis<4-t-butylphenol>

para-tert-butylphenol

Downstream raw materials:

2-<3-<3-(5-t-butylsalicyl)-5-t-butyl-2-hydroxyphenylthio>-5-t-butylsalicyl>-4-t-butylphenol

C₂₂H₂₈Cl₂O₂S