1-(Benzenesulfinyl)-1-chlorohexan-2-OL

Base Information

• Chemical Name: 1-(Benzenesulfinyl)-1-chlorohexan-2-OL
• CAS No.: 63988-06-7
• Molecular Formula: C₁₂H₁₇ClO₂S
• Molecular Weight: 260.785
• DSSTox Substance ID: DTXSID40490688
• Mol file: 63988-06-7.mol

Synonyms:1-(BENZENESULFINYL)-1-CHLOROHEXAN-2-OL;63988-06-7;DTXSID40490688

Chemical Property of 1-(Benzenesulfinyl)-1-chlorohexan-2-OL

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 260.0637786
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(S(=O)C1=CC=CC=C1)Cl)O

Technology Process of 1-(Benzenesulfinyl)-1-chlorohexan-2-OL

There total 2 articles about 1-(Benzenesulfinyl)-1-chlorohexan-2-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: 33.0%

pentanal (110-62-3) + chloromethyl phenyl sulfoxide (7205-94-9) → 1-chloro-1-phenylsulfinylhexan-2-ol (63988-06-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 1.) -85 deg C, 30 min, 2.) -30 deg C, 30 min;

Reference yield:

pentanal (110-62-3) + lithio α-chloromethyl phenyl sulfoxide (41103-65-5) → 1-chloro-1-phenylsulfinylhexan-2-ol (63988-06-7)

Guidance literature:

In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4039(01)92981-8

Reference yield: 57.5%

1-chloro-1-phenylsulfinylhexan-2-ol (63988-06-7) → 1-chlorohexan-2-one (20261-68-1)

Guidance literature:

In xylene; for 48h; Heating;

upstream raw materials:

pentanal

lithio α-chloromethyl phenyl sulfoxide

chloromethyl phenyl sulfoxide

Downstream raw materials:

1-chlorohexan-2-one