(R)-1-(4-Bromo-2-fluorophenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(4-Bromo-2-fluorophenyl)ethanamine
• CAS No.: 845930-79-2
• Molecular Formula: C₈H₉BrFN
• Molecular Weight: 218.069
• DSSTox Substance ID: DTXSID10582882
• Nikkaji Number: J2.350.306I
• Mol file: 845930-79-2.mol

Synonyms:(R)-1-(4-Bromo-2-fluorophenyl)ethanamine;845930-79-2;BENZENEMETHANAMINE, 4-BROMO-2-FLUORO-A-METHYL-, (AR)-;(1R)-1-(4-BROMO-2-FLUOROPHENYL)ETHANAMINE;(1R)-1-(4-Bromo-2-fluorophenyl)ethan-1-amine;(R)-1-(4-bromo-2-fluorophenyl)ethan-1-amine;(R)-1-(4-BROMO-2-FLUORO-PHENYL)-ETHYLAMINE;SCHEMBL9947727;DTXSID10582882;AMY41857;BENZENEMETHANAMINE, 4-BROMO-2-FLUORO-ALPHA-METHYL-, (ALPHAR)-;MFCD07772558;AKOS015917034;AS-35067;CS-0000370;EN300-214668;benzenemethanamine, 4-bromo-2-fluoro-|A-methyl-, (|Ar)-

Chemical Property of (R)-1-(4-Bromo-2-fluorophenyl)ethanamine

Chemical Property:

• Boiling Point: 250.1±25.0 °C(Predicted)
• PKA: 8.40±0.10(Predicted)
• PSA: 26.02000
• Density: 1.482±0.06 g/cm3(Predicted)
• LogP: 3.30820
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.99024
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99%, ^*data from raw suppliers

(R)-1-(4-Bromo-2-fluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=C(C=C1)Br)F)N
• Isomeric SMILES: C[C@H](C1=C(C=C(C=C1)Br)F)N

Technology Process of (R)-1-(4-Bromo-2-fluorophenyl)ethanamine

There total 4 articles about (R)-1-(4-Bromo-2-fluorophenyl)ethanamine 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: 44.0%

methylmagnesium bromide (75-16-1) + 4-bromo-6-fluorobenzonitrile (105942-08-3) → 1-(4-bromo-2-fluorophenyl)ethanamine (1228559-00-9,1034266-14-2,845930-79-2)

Guidance literature:

methylmagnesium bromide; 4-bromo-6-fluorobenzonitrile; In tetrahydrofuran; diethyl ether; at 0 ℃; for 6h;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; diethyl ether; at 20 ℃; for 16h;

Reference yield: 30.0%

C-azido-C-(2-fluoro-4-bromo-phenyl)-methylamine (1034266-11-9) → 1-(4-bromo-2-fluorophenyl)ethanamine (1228559-00-9,1034266-14-2,845930-79-2)

Guidance literature:

C-azido-C-(2-fluoro-4-bromo-phenyl)-methylamine; With hydrogenchloride; triphenylphosphine; In tetrahydrofuran; water; at 20 ℃; for 2h;

With sodium hydrogencarbonate; In tetrahydrofuran; water; pH=8;

Reference yield:

N-[1-(4-bromo-2-fluoro-phenyl)-ethyl]-2,2,2-trifluoro-acetamide → (R)-1-(4-bromo-2-fluorophenyl)ethanamine (1228559-00-9,1034266-14-2,845930-79-2)

Guidance literature:

With potassium carbonate; In methanol; water; at 20 ℃; for 48h;

DOI:10.1016/j.tetlet.2006.06.135

upstream raw materials:

C-azido-C-(2-fluoro-4-bromo-phenyl)-methylamine

methylmagnesium bromide

4-bromo-6-fluorobenzonitrile

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