Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)
• CAS No.: 701264-00-8
• Molecular Formula: C8H7 F N2
• Molecular Weight: 150.1529832
• Mol file: 701264-00-8.mol

Synonyms:4-Aminomethyl-3-fluorobenzonitrile

Chemical Property of Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)

Chemical Property:

• Boiling Point: 268.1±30.0 °C(Predicted)
• PKA: 8.04±0.10(Predicted)
• PSA: 49.81000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 1.85638

Purity/Quality:

98%min ^*data from raw suppliers

4-(aminomethyl)-3-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)

There total 5 articles about Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI) 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:

4-((1,3-dioxoisoindolin-2-yl)methyl)-3-fluorobenzonitrile (1016706-76-5) → 4-(aminomethyl)-3-fluorobenzonitrile (701264-00-8)

Guidance literature:

With hydrazine hydrate; In butan-1-ol; at 80 ℃; for 1h;

DOI:10.1021/acs.jmedchem.8b01544

Reference yield:

3-fluoro-4-(azidomethyl)benzonitrile (368426-24-8) → 4-(aminomethyl)-3-fluorobenzonitrile (701264-00-8)

Guidance literature:

With 1.3-propanedithiol; triethylamine; In methanol; for 4h;

Reference yield:

4-(bromomethyl)-3-fluorobenzonitrile (105942-09-4) → 4-(aminomethyl)-3-fluorobenzonitrile (701264-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C

2: hydrazine hydrate / butan-1-ol / 1 h / 80 °C

With caesium carbonate; hydrazine hydrate; In N,N-dimethyl-formamide; butan-1-ol;

DOI:10.1021/acs.jmedchem.8b01544

upstream raw materials:

4-((1,3-dioxoisoindolin-2-yl)methyl)-3-fluorobenzonitrile

3-fluoro-4-(azidomethyl)benzonitrile

2-fluoro-4-cyanotoluene

4-(bromomethyl)-3-fluorobenzonitrile

Downstream raw materials:

2-chloro-N-(4-cyano-2-fluorobenzyl)acetamide

Refernces

• 1、 -. "NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS". Page/Page column 74-75. . Retrieved 2010/11/27.