Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester

Base Information

• Chemical Name: Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester
• CAS No.: 103935-55-3
• Molecular Formula: C5H8ClF3O3S
• Molecular Weight: 240.631
• DSSTox Substance ID: DTXSID30473187
• Nikkaji Number: J1.542.515F
• Wikidata: Q82302394
• Mol file: 103935-55-3.mol

Synonyms:4-chlorobutyl trifluoromethanesulfonate;Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester;103935-55-3;DTXSID30473187;EN300-7431177;Trifluoromethanesulfonic acid 4-chlorobutyl ester

Chemical Property of Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 239.9834775
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCl)COS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester

There total 1 articles about Methanesulfonic acid, trifluoro-, 4-chlorobutyl 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: 18.0%

1,4-dibromo-butane (110-52-1) + silver trifluoromethanesulfonate (2923-28-6) → 1,4-butanediyl trifluoromethanesulfonate (18934-34-4) + 4-chlorobutanol-1-trifluoromethanesulfonate (103935-55-3) + 4-bromobutanol-1-trifluoromethanesulfonate (103935-49-5)

Guidance literature:

In tetrachloromethane; for 7h; Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00370a009

Reference yield: 95.0%

(5R)-4-(tert-butyloxycarbonyl)-5-phenyl-2,3,5,6-tetrahydro-4H-1,4-oxazin-2-one (119878-90-9,220077-24-7) + 4-chlorobutanol-1-trifluoromethanesulfonate (103935-55-3) → (3R,5R)-2,3,5,6-tetrahydro-3-(4-chlorobutyl)-5-phenyl-N-(tert-butoxycarbonyl)-4H-1,4-oxazine-2-one

Guidance literature:

(5R)-4-(tert-butyloxycarbonyl)-5-phenyl-2,3,5,6-tetrahydro-4H-1,4-oxazin-2-one; With sodium hexamethyldisilazane; In tetrahydrofuran; 1,2-dimethoxyethane; at -78 ℃; for 0.5h;

4-chlorobutanol-1-trifluoromethanesulfonate; In tetrahydrofuran; 1,2-dimethoxyethane; for 2h;

DOI:10.1081/SCC-120021497

Reference yield: 93.0%

4-chlorobutanol-1-trifluoromethanesulfonate (103935-55-3) + (S)-2,3,5,6-tetrahydro-5-phenyl-N-(tert-butyloxycarbonyl)-4H-1,4-oxazine-2-one (220077-24-7) → (3S,5S)-2,3,5,6-tetrahydro-3-(4-chlorobutyl)-5-phenyl-N-(tert-butoxycarbonyl)-4H-1,4-oxazine-2-one

Guidance literature:

(S)-2,3,5,6-tetrahydro-5-phenyl-N-(tert-butyloxycarbonyl)-4H-1,4-oxazine-2-one; With sodium hexamethyldisilazane; In tetrahydrofuran; 1,2-dimethoxyethane; at -78 ℃; for 0.5h;

4-chlorobutanol-1-trifluoromethanesulfonate; In tetrahydrofuran; 1,2-dimethoxyethane; for 2h;

DOI:10.1081/SCC-120021497

upstream raw materials:

1,4-dibromo-butane

silver trifluoromethanesulfonate

Downstream raw materials:

(6-chloro-1-hexyn-1-yl)benzene