3-Methyl-4-(phenylsulfanyl)butan-1-ol

Base Information

• Chemical Name: 3-Methyl-4-(phenylsulfanyl)butan-1-ol
• CAS No.: 88408-80-4
• Molecular Formula: C11H16OS
• Molecular Weight: 196.313
• DSSTox Substance ID: DTXSID10538167
• Mol file: 88408-80-4.mol

Synonyms:88408-80-4;3-Methyl-4-(phenylsulfanyl)butan-1-ol;SCHEMBL10912224;4-phenylthio-3-methyl-1-butanol;DTXSID10538167;PWKGTJOMTQLGPW-UHFFFAOYSA-N

Chemical Property of 3-Methyl-4-(phenylsulfanyl)butan-1-ol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 196.09218630
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)CSC1=CC=CC=C1

Technology Process of 3-Methyl-4-(phenylsulfanyl)butan-1-ol

There total 13 articles about 3-Methyl-4-(phenylsulfanyl)butan-1-ol 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: 80.0%

C11H14OS (1373398-04-9) → (S)-3-methyl-4-phenylthio-1-butanol (88408-80-4,94807-93-9)

Guidance literature:

With methanol; sodium tetrahydroborate; at -10 ℃; for 0.0833333h;

DOI:10.1021/ol3007698

Reference yield: 46.0%

(isopentylperoxy)triisopropylsilane + diphenyldisulfane (882-33-7) → 3-methyl-4-(phenylthio)butan-1-ol (88408-80-4)

Guidance literature:

With iron(II) triflate; In methanol; at 80 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.joc.9b01979

Reference yield: 22.0%

(E)-3-Methyl-4-(thiophenoxy)-2-buten-1-ol (78592-86-6) → (E)-3-Methyl-4-phenylsulfanyl-but-3-en-1-ol (121783-40-2) + (S)-3-methyl-4-phenylthio-1-butanol (88408-80-4,94807-93-9)

Guidance literature:

With bakers' yeast; Sucrose; In water; for 504h;

DOI:10.1016/S0040-4039(00)86710-6

upstream raw materials:

(E)-3-Methyl-4-(thiophenoxy)-2-buten-1-ol

(E)-4-chloro-3-methyl-2-buten-1-ol

thiophenol

C₁₁H₁₄OS

Downstream raw materials:

4-Benzenesulphonyl-3-methylbutan-1-ol