Benzene, 1-(4-bromobutyl)-4-fluoro-

Base Information

• Chemical Name: Benzene, 1-(4-bromobutyl)-4-fluoro-
• CAS No.: 89326-70-5
• Molecular Formula: C10H12BrF
• Molecular Weight: 231.108
• DSSTox Substance ID: DTXSID30434930
• Wikidata: Q82249532
• Mol file: 89326-70-5.mol

Synonyms:89326-70-5;1-(4-BROMOBUTYL)-4-FLUOROBENZENE;Benzene, 1-(4-bromobutyl)-4-fluoro-;SCHEMBL1006872;4-(4-Fluorophenyl)-bromobutane;DTXSID30434930;OBNIYQYMZJBZHO-UHFFFAOYSA-N;1-(4-Bromo-butyl)-4-fluoro-benzene;AKOS013831464;AB90870;CS-0304675;F80533;EN300-1911467

Chemical Property of Benzene, 1-(4-bromobutyl)-4-fluoro-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 230.01064
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCBr)F

Technology Process of Benzene, 1-(4-bromobutyl)-4-fluoro-

There total 10 articles about Benzene, 1-(4-bromobutyl)-4-fluoro- 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: 91.9%

4-(4-fluorophenyl)-1-butanol (40283-05-4) → 1-bromo-4-(4-fluorophenyl)-butane (89326-70-5)

Guidance literature:

Reference yield: 77.0%

1,4-dibromo-butane (110-52-1) + 1-Bromo-4-fluorobenzene (460-00-4) → 1-bromo-4-(4-fluorophenyl)-butane (89326-70-5)

Guidance literature:

1-Bromo-4-fluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

1,4-dibromo-butane; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1002/ejoc.201800077

Reference yield: 72.0%

1,4-dibromo-butane (110-52-1) + 4-flourophenylmagnesium bromide (352-13-6) → 1-bromo-4-(4-fluorophenyl)-butane (89326-70-5)

Guidance literature:

With copper(I) bromide; lithium bromide; In tetrahydrofuran; at 50 - 55 ℃; for 1h;

upstream raw materials:

4-(4-fluorophenyl)-1-butanol

1,4-dibromo-butane

4-flourophenylmagnesium bromide

methyl 4-(4-fluorophenyl)butanoate

Downstream raw materials:

ethyl 2-ethoxycarbonyl-6-(4'-fluorophenyl)hexanoate

6-(4'-fluorophenyl)hexanoic acid

6-(4-Fluoro-phenyl)-hexanoyl chloride

6-(4-Fluoro-phenyl)-hexanoic acid (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester