2-Bromo-3,3,3-trifluoropropyl acetate

Base Information

• Chemical Name: 2-Bromo-3,3,3-trifluoropropyl acetate
• CAS No.: 383-68-6
• Molecular Formula: C5H6 Br F3 O2
• Molecular Weight: 235.001
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID60337021
• Nikkaji Number: J122.166C
• Mol file: 383-68-6.mol

Synonyms:2-Bromo-3,3,3-trifluoropropyl acetate;383-68-6;(2-bromo-3,3,3-trifluoropropyl) acetate;MFCD09763643;2-Bromo-3,3,3-trifluoro-1-propanol acetate;1-Propanol,2-bromo-3,3,3-trifluoro-,acetate;1-Propanol, 2-bromo-3,3,3-trifluoro-, acetate;SCHEMBL14373830;DTXSID60337021;BBL102253;STL556052;2-Bromo-3,3,3-trifluoropropylacetate;AKOS005255884;2-Bromo-3,3,3-trifluoropropyl acetate #;1,1,1-trifluoro-3-acetoxy-2-bromopropane;Acetic acid 2-bromo-3,3,3-trifluoro-propyl ester

Chemical Property of 2-Bromo-3,3,3-trifluoropropyl acetate

Chemical Property:

• Vapor Pressure: 3.59mmHg at 25°C
• Refractive Index: 1.401
• Boiling Point: 151.9°C at 760 mmHg
• Flash Point: 45.7°C
• PSA: 26.30000
• Density: 1.626g/cm³
• LogP: 1.87530
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.95033
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-3,3,3-trifluoropropyl acetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(C(F)(F)F)Br

Technology Process of 2-Bromo-3,3,3-trifluoropropyl acetate

There total 4 articles about 2-Bromo-3,3,3-trifluoropropyl acetate 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: 99.6%

1,1,2-trifluoropropene (563-85-9) + acetic acid (64-19-7,77671-22-8) → 3-acetoxy-2-bromo-1,1,1-trifluoropropane (383-68-6)

Guidance literature:

1,1,2-trifluoropropene; With sulfuric acid; sulfur trioxide; bromine; at 12 - 22 ℃; for 1h;

acetic acid; at 100 ℃; for 1h;

Reference yield: 60.0%

1,1,1-trifluoropropylene (677-21-4) + acetic acid (64-19-7,77671-22-8) → 3-acetoxy-2-bromo-1,1,1-trifluoropropane (383-68-6)

Guidance literature:

With bromine; silver(I) acetate; for 1h;

DOI:10.1016/j.jfluchem.2007.05.018

Reference yield:

C3H4F3O4BrS + acetic acid (64-19-7,77671-22-8) → 3-acetoxy-2-bromo-1,1,1-trifluoropropane (383-68-6)

Guidance literature:

at 100 ℃; for 1h;

DOI:10.1016/j.jfluchem.2007.05.018

upstream raw materials:

1,1,1-trifluoropropylene

acetic acid

1,1,2-trifluoropropene

Downstream raw materials:

2-bromo-3,3,3-trifluoropropan-1-ol

acetic acid

1,1,1-trifluoro-2,3-epoxypropane

2-bromo-3,3,3-trifluoropropene

Refernces

• 1、 Ramachandran, P. Veeraraghavan,Padiya, Kamlesh J.. "Preparative-scale synthesis of 3,3,3-trifluoropropene oxide". . p. 1255 - 1259. Retrieved 2008/02/10.
• 2、 Lermontov, S. A.,Kuryleva, N. V.,Velikokhat'ko, T. N.. "Novel method for the synthesis of (trifluoromethyl)oxirane". . p. 550 - 551. Retrieved 2007/10/03.