1-Bromo-4,4,4-trifluorobutane

Base Information

• Chemical Name: 1-Bromo-4,4,4-trifluorobutane
• CAS No.: 406-81-5
• Molecular Formula: C4H6BrF3
• Molecular Weight: 190.991
• Hs Code.: 2903799090
• Mol file: 406-81-5.mol

Synonyms:1,1,1-Trifluoro-4-bromobutane;1-Bromo-4,4,4-trifluorobutane;4,4,4-Trifluoro-1-bromobutane;4,4,4-Trifluorobutyl bromide;

Chemical Property of 1-Bromo-4,4,4-trifluorobutane

Chemical Property:

• Vapor Pressure: 51.4mmHg at 25°C
• Refractive Index: 1.382
• Boiling Point: 95.664 °C at 760 mmHg
• Flash Point: -0.74 °C
• PSA: 0.00000
• Density: 1.539 g/cm³
• LogP: 2.72380
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible in water.

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-4,4,4-trifluorobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 11-36/37/38-36-25
• Safety Statements: 16-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Bromo-4,4,4-trifluorobutane is used as pharmaceutical intermediate.

Technology Process of 1-Bromo-4,4,4-trifluorobutane

There total 1 articles about 1-Bromo-4,4,4-trifluorobutane 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:

4,4,4-trifluorobutanol (461-18-7) → 1-Bromo-4,4,4-trifluorobutane (406-81-5)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/jo01118a002

Reference yield: 100.0%

1-Bromo-4,4,4-trifluorobutane (406-81-5) + methyl (E)-4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate (934753-05-6) → methyl 4-{(3E)-2-[2-(4-cyanophenyl)ethyl]-4-[2-(4,4,4-trifluorobutoxy)phenyl]but-3-en-1-yl}benzoate (934737-98-1)

Guidance literature:

With potassium carbonate; In acetonitrile; for 12h; Reflux;

Reference yield: 98.5%

1-bromo-2-chloro-3-fluoro benzene (883499-24-9) + 1-Bromo-4,4,4-trifluorobutane (406-81-5) → 3-trifluoromethyl-1-(2-chloro-3-fluorophenyl)propane

Guidance literature:

1-bromo-2-chloro-3-fluoro benzene; With iodine; magnesium; In tetrahydrofuran; at 50 ℃; for 2h; Inert atmosphere;

1-Bromo-4,4,4-trifluorobutane; With [2,2]bipyridinyl; cobalt acetylacetonate; In tetrahydrofuran; at 50 - 60 ℃; for 3.5h; Inert atmosphere;

upstream raw materials:

4,4,4-trifluorobutanol

Downstream raw materials:

5,5,5-trifluoro-1-pentanol

3-[3-(4,4,4-Trifluoro-butoxy)-phenyl]-propionic acid ethyl ester

(2-chloro-pyrimidin-4-yl)-(2,5-dichloro-phenyl)-(4,4,4-trifluoro-butyl)-amine

Refernces

• 1、 -. "Pyrazolo[3,4-b]pyridine carboxylic acid esters and their pharmaceutical use". . . Retrieved 2008/06/13.