(3-Bromo-2-fluoropropyl)benzene

Base Information

• Chemical Name: (3-Bromo-2-fluoropropyl)benzene
• CAS No.: 105198-14-9
• Molecular Formula: C9H10BrF
• Molecular Weight: 217.081
• DSSTox Substance ID: DTXSID40543567
• Nikkaji Number: J1.166.695G
• Mol file: 105198-14-9.mol

Synonyms:(3-bromo-2-fluoropropyl)benzene;105198-14-9;starbld0011488;DTXSID40543567;(3-bromo-2-fluoro-propyl)-benzene;AKOS026713983;F1967-2969

Chemical Property of (3-Bromo-2-fluoropropyl)benzene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 215.99499
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CBr)F

Technology Process of (3-Bromo-2-fluoropropyl)benzene

There total 3 articles about (3-Bromo-2-fluoropropyl)benzene 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: 75.0%

allylbenzene (300-57-2,57807-91-7) → 1-bromo-2-fluoro-3-phenylpropane (105198-14-9)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; tetrabutylphosphonium dihydrogenetrifluoride; In dichloromethane; at 20 - 25 ℃; for 2h;

DOI:10.1246/cl.1993.673

Reference yield: 16.0%

allylbenzene (300-57-2,57807-91-7) → (2,3-dibromopropyl)benzene (1586-98-7) + 1-bromo-2-fluoro-3-phenylpropane (105198-14-9) + 2-bromo-1-fluoro-3-phenylpropane (105198-15-0)

Guidance literature:

With N-Bromosuccinimide; tetra-n-butylammonium dihydrogen trifluoride; In dichloromethane; for 2h; Yields of byproduct given; Heating;

Reference yield:

allylbenzene (300-57-2,57807-91-7) → (2,3-dibromopropyl)benzene (1586-98-7) + 1-bromo-3-phenylpropan-2-ol (28988-98-9) + 1-bromo-2-fluoro-3-phenylpropane (105198-14-9) + 2-bromo-1-fluoro-3-phenylpropane (105198-15-0)

Guidance literature:

With pyridine; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; hydrogen fluoride; for 0.0833333h; Product distribution; Ambient temperature; other temp., time, reagent (N-bromosuccinimide), isotope (18F labeling) investigated; purpose is prep. of 18F-labeled products;

DOI:10.1016/S0022-1139(00)85091-5

upstream raw materials:

allylbenzene

Downstream raw materials:

(±)-2-fluoro-3-phenylpropanoic acid