4-Bromo-2-fluorobenzylamine

Base Information

• Chemical Name: 4-Bromo-2-fluorobenzylamine
• CAS No.: 112734-22-2
• Molecular Formula: C7H7 Br F N
• Molecular Weight: 204.042
• Hs Code.: 29214900
• European Community (EC) Number: 642-674-4
• DSSTox Substance ID: DTXSID00396192
• Nikkaji Number: J2.403.725H
• Wikidata: Q72455972
• Mol file: 112734-22-2.mol

Synonyms:4-BROMO-2-FLUOROBENZYLAMINE;112734-22-2;(4-bromo-2-fluorophenyl)methanamine;2-Fluoro-4-bromobenzyl amine;2-fluoro-4-bromobenzylamine;4-Bromo-2-fluorobenzyl amine;Benzenemethanamine, 4-bromo-2-fluoro-;(4-bromo-2-fluoro-phenyl)methanamine;MFCD00153076;1-(4-bromo-2-fluorophenyl)methanamine;4-bromo-2-fluoro-benzylamine;SCHEMBL110765;DTXSID00396192;RLTFBWCBGIZCDQ-UHFFFAOYSA-N;4-bromo-2-fluorophenyl-methanamine;(4-bromo-2-fluorophenyl) methanamine;AKOS000173360;AC-1967;AM61270;CS-W004742;SB77484;4-bromo-2-fluorobenzylamine, AldrichCPR;DS-13687;SY033189;(4-bromo-2-fluorobenzyl)amine hydrochloride;FT-0617776;A22170;EN300-144216

Chemical Property of 4-Bromo-2-fluorobenzylamine

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Vapor Pressure: 0.00285mmHg at 25°C
• Melting Point: 49-51°C
• Boiling Point: 284.3°Cat760mmHg
• PKA: 8.43±0.10(Predicted)
• Flash Point: 125.7°C
• PSA: 26.02000
• Density: 1.487g/cm³
• LogP: 2.74720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.97459
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2-fluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-21/22-36
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-2-fluorobenzylamine

There total 3 articles about 4-Bromo-2-fluorobenzylamine 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: 90.0%

4-bromo-6-fluorobenzonitrile (105942-08-3) → 4-bromo-2-fluorobenzylamine (112734-22-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 25 ℃; for 3h;

DOI:10.1021/jo702271c

Reference yield:

(4-bromo-2-fluorophenyl)methanamine mono HCl salt → 4-bromo-2-fluorobenzylamine (112734-22-2)

Guidance literature:

With water; potassium carbonate; In ethyl acetate;

Reference yield:

→ 4-bromo-2-fluorobenzylamine (112734-22-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 85 ℃; for 2h;

upstream raw materials:

4-bromo-6-fluorobenzonitrile

Downstream raw materials:

2-Amino-N-(4-bromo-2-fluorobenzyl)benzamide

2-[3-(4-Bromo-2-fluoro-benzyl)-ureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

2-[3-(4-Bromo-2-fluoro-benzyl)-ureido]-4-methyl-thiophene-3-carboxylic acid ethyl ester

2-[3-(4-Bromo-2-fluoro-benzyl)-ureido]-5-methyl-thiophene-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "NOVEL ANTIBIOTICS AND METHODS OF USING SAME". Page/Page column 62. . Retrieved 2018/05/16.
• 2、 Haddenham, Dustin,Pasumansky, Lubov,DeSoto, Jamie,Eagon, Scott,Singaram, Bakthan. "Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane". supporting information; experimental part. p. 1964 - 1970. Retrieved 2009/07/01.