2,6-DI-Tert-butyl-4-[(dodecylsulfanyl)methyl]phenol

Base Information

• Chemical Name: 2,6-DI-Tert-butyl-4-[(dodecylsulfanyl)methyl]phenol
• CAS No.: 24287-20-5
• Molecular Formula: C27H48OS
• Molecular Weight: 420.744
• DSSTox Substance ID: DTXSID10561031
• Nikkaji Number: J2.383.489H
• Wikidata: Q82444690
• Mol file: 24287-20-5.mol

Synonyms:24287-20-5;SCHEMBL9576103;DTXSID10561031;2,6-DI-TERT-BUTYL-4-[(DODECYLSULFANYL)METHYL]PHENOL;4-[(dodecylthio)methyl]-2,6-di-t-butyl-phenol

Chemical Property of 2,6-DI-Tert-butyl-4-[(dodecylsulfanyl)methyl]phenol

Chemical Property:

• XLogP3: 10.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 420.34258732
• Heavy Atom Count: 29
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Technology Process of 2,6-DI-Tert-butyl-4-[(dodecylsulfanyl)methyl]phenol

There total 3 articles about 2,6-DI-Tert-butyl-4-[(dodecylsulfanyl)methyl]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: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-di-tert-butylphenol (128-39-2) + 1-dodecylthiol (112-55-0) → 1-dodecyl (3,5-di-tert-butyl-4-hydroxybenzyl) sulfide (24287-20-5)

Guidance literature:

With 2,6-di-tert-butyl-4-(dimethylaminomethyl)phenol; In N,N-dimethyl-formamide; at 120 ℃; for 4h;

DOI:10.1080/00397910701462971

Reference yield: 64.0%

N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine (88-27-7) + 1-dodecylthiol (112-55-0) → 1-dodecyl (3,5-di-tert-butyl-4-hydroxybenzyl) sulfide (24287-20-5)

Guidance literature:

In o-xylene; for 16h; Heating;

DOI:10.1134/S0965544106040116

Reference yield:

→ 1-dodecyl (3,5-di-tert-butyl-4-hydroxybenzyl) sulfide (24287-20-5)

Guidance literature:

/BRN= 884076/, CH3(CH2)11SH (140-170grad, 3h);

upstream raw materials:

N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine

1-dodecylthiol

formaldehyd

2,6-di-tert-butylphenol

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