1-Butanesulfinic acid, methyl ester

Base Information

• Chemical Name: 1-Butanesulfinic acid, methyl ester
• CAS No.: 673-80-3
• Molecular Formula: C5H12O2S
• Molecular Weight: 136.21300
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10423584
• Nikkaji Number: J146.004H
• Mol file: 673-80-3.mol

Synonyms:1-Butanesulfinic acid, methyl ester;673-80-3;Butane-1-sulfinic acid methyl ester;Methyl butanesulfinate;Methyl 1-butanesulfinate;SCHEMBL12183790;DTXSID10423584;HRRNQRJSBFSSKN-UHFFFAOYSA-N

Chemical Property of 1-Butanesulfinic acid, methyl ester

Chemical Property:

• PSA: 45.51000
• LogP: 1.96230
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 136.05580079
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCS(=O)OC

Technology Process of 1-Butanesulfinic acid, methyl ester

There total 7 articles about 1-Butanesulfinic acid, methyl ester 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: 94.0%

methanol (67-56-1) + n-butanethiol (109-79-5) → Methyl 1-Butanesulfinate (673-80-3)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; at 20 ℃; for 0.5h; Sonication; Green chemistry;

DOI:10.1080/17415993.2021.1928669

Reference yield: 81.0%

chlorosulfite de methyle (13165-72-5) + butane-1-sulfinyl chloride (13455-88-4) → Methyl 1-Butanesulfinate (673-80-3)

Guidance literature:

With Hexamethyldisiloxane; dimethyl sulfoxide; for 6h; Ambient temperature;

DOI:10.1246/cl.1981.1753

Reference yield: 75.0%

methanol (67-56-1) + dibutyl disulfide (629-45-8) → Methyl 1-Butanesulfinate (673-80-3)

Guidance literature:

With N-Bromosuccinimide; at 0 - 25 ℃; for 4h;

DOI:10.1039/c8cc02052c

upstream raw materials:

N-butylsulfinylphthalimide

sodium methylate

chlorosulfite de methyle

butane-1-sulfinyl chloride

Refernces

• 1、 Garrido-Castro, Alberto F.,Salaverri, Noelia,Maestro, M. Carmen,Alemán, José. "Intramolecular Homolytic Substitution Enabled by Photoredox Catalysis: Sulfur, Phosphorus, and Silicon Heterocycle Synthesis from Aryl Halides". supporting information. p. 5295 - 5300. Retrieved 2019/07/03.
• 2、 Xue, Fei,Wang, Falu,Liu, Jiazhen,Di, Jiamei,Liao, Qi,Lu, Huifang,Zhu, Min,He, Liping,He, Huan,Zhang, Dan,Song, Hao,Liu, Xiao-Yu,Qin, Yong. "A Desulfurative Strategy for the Generation of Alkyl Radicals Enabled by Visible-Light Photoredox Catalysis". supporting information. p. 6667 - 6671. Retrieved 2018/06/11.