4-Isopropoxythiophenol

Base Information

• Chemical Name: 4-Isopropoxythiophenol
• CAS No.: 702-12-5
• Molecular Formula: C₉H₁₂OS
• Molecular Weight: 168.26
• European Community (EC) Number: 963-495-0
• Nikkaji Number: J2.124.141E
• Mol file: 702-12-5.mol

Synonyms:4-Isopropoxythiophenol;702-12-5;4-(propan-2-yloxy)benzene-1-thiol;4-propan-2-yloxybenzenethiol;4-Isopropoxybenzenethiol;4-(Isopropyloxy)benzenethiol;SCHEMBL2096256;LHJATWWCJZZRBU-UHFFFAOYSA-N;MFCD11190241;AKOS009246863;FS-5995;CS-0274570;EN300-1270349

Chemical Property of 4-Isopropoxythiophenol

Chemical Property:

• XLogP3: 3.1
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)S

Technology Process of 4-Isopropoxythiophenol

There total 3 articles about 4-Isopropoxythiophenol 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: 70.0%

p-Isopropoxyphenyl isopropyl sulphide (86636-08-0) → 4-isopropyloxythiophenol (702-12-5)

Guidance literature:

With sodium; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃;

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

Reference yield:

4-chlorophenyl methyl sulfide (123-09-1) → 4-isopropyloxythiophenol (702-12-5)

Guidance literature:

Multi-step reaction with 2 steps

2: 70 percent / Na / hexamethylphosphoric acid triamide / 100 °C

With sodium; In N,N,N,N,N,N-hexamethylphosphoric triamide;

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

Reference yield:

→ 4-isopropyloxythiophenol (702-12-5)

Guidance literature:

upstream raw materials:

p-Isopropoxyphenyl isopropyl sulphide

4-chlorophenyl methyl sulfide

Downstream raw materials:

1-Isopropoxy-4-methylsulfanyl-benzene

2-Isopropoxy-5-methylsulfanyl-benzoic acid

2-isopropoxybenzoic acid

1,3-Bis-(4-isopropoxy-phenylsulfanyl)-5-methylsulfanyl-benzene