4-(Propan-2-ylsulfanyl)phenol

Base Information

• Chemical Name: 4-(Propan-2-ylsulfanyl)phenol
• CAS No.: 70551-46-1
• Molecular Formula: C9H12OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID30516689
• Wikidata: Q82378218
• Mol file: 70551-46-1.mol

Synonyms:4-(Propan-2-ylsulfanyl)phenol;70551-46-1;4-propan-2-ylsulfanylphenol;4-(isopropylthio)phenol;4-(1-methylethylthio)phenol;SCHEMBL3724500;DTXSID30516689;DVDGHEZGPNPQAV-UHFFFAOYSA-N;4-[(Propan-2-yl)sulfanyl]phenol;AKOS010084674;A1-03756

Chemical Property of 4-(Propan-2-ylsulfanyl)phenol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC1=CC=C(C=C1)O

Technology Process of 4-(Propan-2-ylsulfanyl)phenol

There total 10 articles about 4-(Propan-2-ylsulfanyl)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: 93.0%

4-sulfanylphenol (637-89-8) + isopropyl bromide (75-26-3) → 4-isopropyl-thiophenol (70551-46-1)

Guidance literature:

With potassium carbonate; In acetone; for 12h;

DOI:10.1021/jo025781w

Reference yield: 90.0%

2-iodo-propane (75-30-9) + 4-sulfanylphenol (637-89-8) → 4-isopropyl-thiophenol (70551-46-1)

Guidance literature:

With potassium carbonate; In acetone; at 25 ℃; for 18h;

DOI:10.1021/jm060484v

Reference yield: 75.0%

p-Isopropoxyphenyl isopropyl sulphide (86636-08-0) → 4-isopropyl-thiophenol (70551-46-1)

Guidance literature:

With sodium methylate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃; for 24h;

DOI:10.1016/0040-4020(82)80078-1

upstream raw materials:

isopropyl chloride

4-sulfanylphenol

p-Isopropoxyphenyl isopropyl sulphide

4-Ethoxyaniline

Downstream raw materials:

5-Bromo-2-(4-isopropylsulfanyl-phenoxy)-thiazole

N-(3-{2-[4-(isopropylthio)phenoxy]-1,3-thiazol-5-yl}-1-methylprop-2-ynyl)acetamide

2,6-bis[(S)-4'-isopropyloxazolin-2'yl]-4-(4-isopropylthio)-1-phenoxypyridine