1-(1-Bromoethyl)-2-fluorobenzene

Base Information

• Chemical Name: 1-(1-Bromoethyl)-2-fluorobenzene
• CAS No.: 405931-46-6
• Molecular Formula: C8H8BrF
• Molecular Weight: 203.054
• European Community (EC) Number: 822-145-6
• DSSTox Substance ID: DTXSID50576760
• Mol file: 405931-46-6.mol

Synonyms:1-(1-bromoethyl)-2-fluorobenzene;405931-46-6;SCHEMBL626283;DTXSID50576760;VYBHHNJUTAAMCG-UHFFFAOYSA-N;MFCD11180278;AKOS009308238;AB90134;BS-13261;EN300-43768;1-(1-Bromoethyl)-2-fluorobenzene, AldrichCPR;A873283;J-502849;F1901-0267

Chemical Property of 1-(1-Bromoethyl)-2-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.695mmHg at 25°C
• Boiling Point: 192.028°C at 760 mmHg
• Flash Point: 72.438°C
• PSA: 0.00000
• Density: 1.446g/cm³
• LogP: 3.28160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 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:

97% ^*data from raw suppliers

1-(1-bromoethyl)-2-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1F)Br

Technology Process of 1-(1-Bromoethyl)-2-fluorobenzene

There total 4 articles about 1-(1-Bromoethyl)-2-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: 84.0%

1-(2-fluorophenyl)ethanol (445-26-1) → 1-bromo-1-(2'-fluorophenyl)ethane (405931-46-6)

Guidance literature:

With hydrogen bromide; for 1h; Ambient temperature;

Reference yield:

2-fluorostyrene (394-46-7) → 1-(2-bromoethyl)-2-fluorobenzene (91319-54-9) + 1-bromo-1-(2'-fluorophenyl)ethane (405931-46-6)

Guidance literature:

With hydrogen bromide; acetic acid; In hexane; at 0 ℃; for 2h; Overall yield = 80 %;

DOI:10.1039/c6ob00692b

Reference yield:

2'-Fluoroacetophenone (445-27-2) → 1-bromo-1-(2'-fluorophenyl)ethane (405931-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄, 0.2 M aq. NaOH / methanol / 1 h / 18 - 25 °C

2: 84 percent / 48 percent aq. HBr / 1 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; hydrogen bromide; In methanol;

upstream raw materials:

1-(2-fluorophenyl)ethanol

2'-Fluoroacetophenone

2-fluorostyrene

Downstream raw materials:

(S)-1-(1-cyclopentylethyl)-2-fluorobenzene

(R)-1-(1-cyclopentylethyl)-2-fluorobenzene