2-(5-Bromo-2-fluorophenyl)ethan-1-amine

Base Information

• Chemical Name: 2-(5-Bromo-2-fluorophenyl)ethan-1-amine
• CAS No.: 615534-62-8
• Molecular Formula: C₈H₉BrFN
• Molecular Weight: 218.069
• European Community (EC) Number: 899-227-3
• ChEMBL ID: CHEMBL4987190
• Mol file: 615534-62-8.mol

Synonyms:615534-62-8;2-(5-bromo-2-fluorophenyl)ethan-1-amine;2-(5-bromo-2-fluorophenyl)ethanamine;C8H9BrFN;Benzeneethanamine, 5-bromo-2-fluoro-;SCHEMBL5041752;CHEMBL4987190;QMGYXKZLUJETTB-UHFFFAOYSA-N;2(5'-bromo-2-fluorophenyl)ethylamine;AKOS000154525;DB-364105;EN300-56197;N12525;Z285143732

Chemical Property of 2-(5-Bromo-2-fluorophenyl)ethan-1-amine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 216.99024
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-(5-Bromo-2-fluorophenyl)ethan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CCN)F

Technology Process of 2-(5-Bromo-2-fluorophenyl)ethan-1-amine

There total 6 articles about 2-(5-Bromo-2-fluorophenyl)ethan-1-amine 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: 47.0%

2-(5-bromo-2-fluorophenyl)acetonitrile (305800-60-6) → 2-(5-bromo-2-fluorophenyl) ethan-1-amine (615534-62-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 - 80 ℃; for 18h;

Reference yield:

4-bromo-1-fluoro-2-(2-nitro-ethyl)-benzene (766547-97-1) → 2-(5-bromo-2-fluorophenyl) ethan-1-amine (615534-62-8)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol;

DOI:10.1016/j.bmcl.2004.05.093

Reference yield:

5-bromo-2-fluorobenzaldehyde (93777-26-5) → 2-(5-bromo-2-fluorophenyl) ethan-1-amine (615534-62-8)

Guidance literature:

Multi-step reaction with 4 steps

1: KF; NMM / propan-2-ol / 0 °C

2: Ac₂O; NaOAc / 60 °C

3: NaBH₄; SiO₂ / propan-2-ol; CHCl₃

4: NaBH₄; NiCl₂ / methanol

With 4-methyl-morpholine; potassium fluoride; sodium tetrahydroborate; sodium acetate; acetic anhydride; silica gel; nickel dichloride; In methanol; chloroform; isopropyl alcohol;

DOI:10.1016/j.bmcl.2004.05.093

upstream raw materials:

4-bromo-1-fluoro-2-(2-nitro-ethyl)-benzene

5-bromo-2-fluorobenzaldehyde

1-Bromo-4-fluorobenzene

2-(5-bromo-2-fluorophenyl)acetonitrile

Downstream raw materials:

[2-(5-bromo-2-fluoro-phenyl)-ethyl]-carbamic acid tert-butyl ester