1-(1-Bromoethyl)-3-fluorobenzene

Base Information

• Chemical Name: 1-(1-Bromoethyl)-3-fluorobenzene
• CAS No.: 405931-45-5
• Molecular Formula: C₈H₈BrF
• Molecular Weight: 203.054
• European Community (EC) Number: 817-783-7
• Mol file: 405931-45-5.mol

Synonyms:1-(1-bromoethyl)-3-fluorobenzene;405931-45-5;SCHEMBL508509;OGJJCUDCZNSGDK-UHFFFAOYSA-N;MFCD11180256;AKOS009308060;(+/-)-1-(3-Fluorophenyl)ethyl bromide;BS-13258;CS-0250733;EN300-52049;G44877;F8889-0695

Chemical Property of 1-(1-Bromoethyl)-3-fluorobenzene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.97934
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

95% ^*data from raw suppliers

1-(1-Bromoethyl)-3-fluorobenzene 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(1-Bromoethyl)-3-fluorobenzene

There total 3 articles about 1-(1-Bromoethyl)-3-fluorobenzene 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: 80.0%

1-(3-fluorophenyl)ethanol (402-63-1) → 1-(1-bromoethyl)-3-fluorobenzene (405931-45-5)

Guidance literature:

1-(3-fluorophenyl)ethanol; With N,N-dimethylthiourea; In dichloromethane; at 20 ℃;

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/acs.joc.0c01431

Reference yield:

3-fluorostyrene (350-51-6) → 1-(2-bromoethyl)-3-fluorobenzene (25017-13-4) + 1-(1-bromoethyl)-3-fluorobenzene (405931-45-5)

Guidance literature:

With hydrogen bromide; acetic acid; In hexane; at 0 ℃; for 2h; Overall yield = 82 %;

DOI:10.1039/c6ob00692b

Reference yield:

→ 1-(1-bromoethyl)-3-fluorobenzene (405931-45-5)

Guidance literature:

With phosphorus tribromide; In diethyl ether; at 0 - 20 ℃;

upstream raw materials:

1-(3-fluorophenyl)ethanol

3-fluorostyrene

Refernces

• 1、 Mohite, Amar R.,Phatake, Ravindra S.,Dubey, Pooja,Agbaria, Mohamed,Shames, Alexander I.,Lemcoff, N. Gabriel,Reany, Ofer. "Thiourea-Mediated Halogenation of Alcohols". supporting information. p. 12901 - 12911. Retrieved 2020/11/26.
• 2、 Galli, Marzia,Fletcher, Catherine J.,Del Pozo, Marc,Goldup, Stephen M.. "Scalable anti-Markovnikov hydrobromination of aliphatic and aromatic olefins". supporting information. p. 5622 - 5626. Retrieved 2016/07/06.