3-(Benzenesulfinyl)-4-butyloxan-2-one

Base Information

• Chemical Name: 3-(Benzenesulfinyl)-4-butyloxan-2-one
• CAS No.: 89030-37-5
• Molecular Formula: C15H20O3S
• Molecular Weight: 280.388
• DSSTox Substance ID: DTXSID70564780
• Nikkaji Number: J387.315C
• Mol file: 89030-37-5.mol

Synonyms:3-(Benzenesulfinyl)-4-butyloxan-2-one;89030-37-5;DTXSID70564780

Chemical Property of 3-(Benzenesulfinyl)-4-butyloxan-2-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 280.11331567
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1CCOC(=O)C1S(=O)C2=CC=CC=C2

Technology Process of 3-(Benzenesulfinyl)-4-butyloxan-2-one

There total 8 articles about 3-(Benzenesulfinyl)-4-butyloxan-2-one 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:

3-Butyl-2-phenylthio-5-pentanolide (89030-23-9,89036-10-2,135253-13-3,135253-44-0) → 3-Butyl-2-phenylsulfinyl-5-pentanolide (89030-37-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at -10 ℃; for 0.166667h; Yield given;

DOI:10.1246/bcsj.64.1479

Reference yield:

2-(phenylthio)-5-pentanolide (89036-08-8) → 3-Butyl-2-phenylsulfinyl-5-pentanolide (89030-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) mCPBA; 2.) trifluoroacetic anhydride / 1.) CH₂Cl₂, 0 deg C, 1 h; 2.) 0 deg C -> r.t., overnight

2: 80 percent / diethyl ether / 0.5 h / -20 - -17 °C

3: mCPBA / CH₂Cl₂ / -15 °C

With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; In diethyl ether; dichloromethane;

DOI:10.1246/cl.1983.1511

Reference yield:

2-(phenylthio)-2-penten-5-olide (94451-06-6) → 3-Butyl-2-phenylsulfinyl-5-pentanolide (89030-37-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / diethyl ether / 0.5 h / -20 - -17 °C

2: mCPBA / CH₂Cl₂ / -15 °C

With 3-chloro-benzenecarboperoxoic acid; In diethyl ether; dichloromethane;

DOI:10.1246/cl.1983.1511

upstream raw materials:

3-Butyl-2-phenylthio-5-pentanolide

3,4,5,6-tetrahydro-2H-pyran-2-one

2-(phenylthio)-5-pentanolide

2-(phenylthio)-2-penten-5-olide

Downstream raw materials:

3-Butyl-2-phenylthio-2-penten-5-olide

3-butyl-2-hydroxypentenolide