Butyl sulfurochloridate

Base Information

• Chemical Name: Butyl sulfurochloridate
• CAS No.: 763-23-5
• Molecular Formula: C4H9ClO3S
• Molecular Weight: 172.633
• DSSTox Substance ID: DTXSID80536271
• Wikidata: Q82410881
• Mol file: 763-23-5.mol

Synonyms:763-23-5;Butyl sulfurochloridate;n-butyl chlorosulfonate;SCHEMBL219170;DTXSID80536271;AKOS006334236

Chemical Property of Butyl sulfurochloridate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.9960930
• Heavy Atom Count: 9
• Complexity: 146

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOS(=O)(=O)Cl

Technology Process of Butyl sulfurochloridate

There total 1 articles about Butyl sulfurochloridate 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:

sulfurous acid dibutyl ester (626-85-7) → chlorosulfonic acid butyl ester (763-23-5) + n-Butyl chloride (109-69-3)

Guidance literature:

With chlorine;

Reference yield: 86.0%

chlorosulfonic acid butyl ester (763-23-5) + benzoic acid (65-85-0,8013-63-6) → benzoic acid, butyl ester (136-60-7)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate; In dichloromethane; 1.) 20-22 deg C, 2.) 30 min;

Reference yield: 61.0%

chlorosulfonic acid butyl ester (763-23-5) + o-Allylphenol (1745-81-9) → 4-(o-hydroxybenzyl)-1-ethylbutane-1,4-sultone

Guidance literature:

In tetrachloromethane; at -78 - 20 ℃; for 0.75h;

DOI:10.1023/A:1020926231911

upstream raw materials:

sulfurous acid dibutyl ester

Downstream raw materials:

1-butylbenzene

sec-Butylbenzene

benzoic acid, butyl ester

chlorobenzene