3-Bromopropyl trifluoromethanesulfonate

Base Information

• Chemical Name: 3-Bromopropyl trifluoromethanesulfonate
• CAS No.: 103935-48-4
• Molecular Formula: C4H6 Br F3 O3 S
• Molecular Weight: 271.055
• DSSTox Substance ID: DTXSID50146149
• Wikidata: Q83010886
• Mol file: 103935-48-4.mol

Synonyms:3-bromopropyl-1-triflate;3-bromopropyl-1-trifluoromethanesulfonate

Chemical Property of 3-Bromopropyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.168mmHg at 25°C
• Boiling Point: 220.3°Cat760mmHg
• Flash Point: 87.1°C
• PSA: 51.75000
• Density: 1.788g/cm³
• LogP: 2.71840
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 269.91731
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromopropyl trifluoromethanesulfonate

There total 4 articles about 3-Bromopropyl trifluoromethanesulfonate 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: 92.0%

trifluoromethylsulfonic anhydride (358-23-6) + 1-bromo-3-propanol (627-18-9) → trifluoromethanesulfonic acid 3-bromo-propyl ester (103935-48-4)

Guidance literature:

With 2,6-dimethylpyridine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jo00380a030

Reference yield:

1-bromo-3-propanol (627-18-9) → trifluoromethanesulfonic acid 3-bromo-propyl ester (103935-48-4)

Guidance literature:

With pyridine; trifluorormethanesulfonic acid; In dichloromethane; water;

Reference yield:

trifluoromethane sulfonic anhydride + 1-bromo-3-propanol (627-18-9) → trifluoromethanesulfonic acid 3-bromo-propyl ester (103935-48-4)

Guidance literature:

With pyridine; In dichloromethane; water;

upstream raw materials:

silver trifluoromethanesulfonate

1,3-dibromo-propane

trifluoromethylsulfonic anhydride

1-bromo-3-propanol

Downstream raw materials:

(S)-N-((1S,2S)-2-hydroxy-1,2-diphenylethyl)-N,2-dimethylpyrrolidine-2-carboxamide

[4-(3-Bromo-propoxy)-cyclohexyl]-benzene

1-bromo-3-[¹⁸F]fluoropropane

8-<4-(4-fluorophenyl)-4-oxobutyl>-1-phenyl-4-(3-fluoropropoxy)-1,3,8-triazaspiro<4.5>dec-3-ene

Refernces

• 1、 -. "TRIOXACARCIN-ANTIBODY CONJUGATES AND USES THEREOF". Paragraph 00474; 00481. . Retrieved 2019/02/25.
• 2、 Hugelshofer, Cedric L.,Mellem, Kevin T.,Myers, Andrew G.. "Synthesis of quaternary α-methyl α-amino acids by asymmetric alkylation of pseudoephenamine alaninamide pivaldimine". supporting information. p. 3134 - 3137. Retrieved 2013/07/26.