2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane

Base Information

• Chemical Name: 2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane
• CAS No.: 382-14-9
• Molecular Formula: C4H3 Br F6
• Molecular Weight: 244.96
• Hs Code.: 2903799090
• European Community (EC) Number: 689-846-5
• DSSTox Substance ID: DTXSID90382009
• Wikidata: Q82173270
• Mol file: 382-14-9.mol

Synonyms:2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane;382-14-9;3-bromo-1,1,1-trifluoro-2-(trifluoromethyl)propane;2-(bromomethyl)-1,1,1,3,3,3-hexafluoro-propane;C4H3BrF6;SCHEMBL21598050;DTXSID90382009;BQNGWIBVQDAJNJ-UHFFFAOYSA-N;MFCD04038269;AKOS007930051;BS-42408;CS-0266373;FT-0632066;2-Bromomethyl-1,1,1,3,3,3-hexafluoropropane;EN300-1937179;A824058;Propane, 2-(bromomethyl)-1,1,1,3,3,3-hexafluoro-;2-(bromomethyl)-1,1,1,3,3,3-hexakis(fluoranyl)propane

Chemical Property of 2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane

Chemical Property:

• Vapor Pressure: 106mmHg at 25°C
• Refractive Index: 1.335
• Boiling Point: 77.5°C at 760 mmHg
• Flash Point: 0.7°C
• PSA: 0.00000
• Density: 1.738g/cm³
• LogP: 3.12210
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 243.93223
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99%min ^*data from raw suppliers

2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(F)(F)F)C(F)(F)F)Br

Technology Process of 2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane

There total 1 articles about 2-(Bromomethyl)-1,1,1,3,3,3-hexafluoropropane 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:

2-trifluoromethyl-3,3,3-trifluoropropene (382-10-5) → 2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane (382-14-9)

Guidance literature:

With hydrogen bromide; at -60 ℃; Irradiation_.mit UV-Licht;

DOI:10.1039/jr9530003565

Reference yield: 8.0%

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane (382-14-9) + N-(4-(cyclopropanesulfonamido)-2-(trifluoromethyl)benzyl)-1H-indole-5-carboxamide → N-(4-(cyclopropanesulfonamido)-2-(trifluoromethyl)benzyl)-1-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1H-indole-5-carboxamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01331

Reference yield:

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane (382-14-9) + 1-(4-bromo-2-fluorophenyl)-5-chloro-2-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-imidazole-4-carboxamide → 5-chloro-2-ethyl-1-(2-fluoro-4-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)phenyl)-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-imidazole-4-carboxamide

Guidance literature:

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane; In tetrahydrofuran; at 0 ℃; for 0.75h;

1-(4-bromo-2-fluorophenyl)-5-chloro-2-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-imidazole-4-carboxamide; With bis[tris( 1,1-dimethylethyl)phosphine]-palladium; In tetrahydrofuran; at 60 ℃; for 3h;

upstream raw materials:

2-trifluoromethyl-3,3,3-trifluoropropene