4-(Aminomethyl)-2-fluorobenzonitrile

Base Information

• Chemical Name: 4-(Aminomethyl)-2-fluorobenzonitrile
• CAS No.: 368426-73-7
• Molecular Formula: C8H7FN2
• Molecular Weight: 150.155
• Hs Code.: 2926907090
• Mol file: 368426-73-7.mol

Synonyms:4-Aminomethyl-2-fluorobenzonitrile;

Chemical Property of 4-(Aminomethyl)-2-fluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 267.25 °C at 760 mmHg
• Flash Point: 115.429 °C
• PSA: 49.81000
• Density: 1.202 g/cm³
• LogP: 1.85638

Purity/Quality:

99.5% ^*data from raw suppliers

4-(Aminomethyl)-2-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(Aminomethyl)-2-fluorobenzonitrile

There total 5 articles about 4-(Aminomethyl)-2-fluorobenzonitrile 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: 72.0%

4-azidomethyl-2-fluorobenzonitrile (368426-76-0) → 4-(aminomethyl)-2-fluorobenzonitrile (368426-73-7)

Guidance literature:

With thiophenol; triethylamine; tin(ll) chloride; In acetonitrile; for 1.5h;

Reference yield:

4-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-2-fluoro-benzonitrile (368426-72-6) → 4-(aminomethyl)-2-fluorobenzonitrile (368426-73-7)

Guidance literature:

With hydrazine; In butan-1-ol; for 0.0833333h; Heating;

DOI:10.1016/S0960-894X(02)00585-1

Reference yield:

2-fluoro-4-methylbenzonitrile (85070-67-3) → 4-(aminomethyl)-2-fluorobenzonitrile (368426-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / NBS; AIBN / CCl₄ / 4.5 h / Heating

2: 91 percent / Cs₂CO₃ / dimethylformamide / 0.5 h / 20 °C

3: NH₂NH₂ / butan-1-ol / 0.08 h / Heating

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); caesium carbonate; hydrazine; In tetrachloromethane; N,N-dimethyl-formamide; butan-1-ol;

DOI:10.1016/S0960-894X(02)00585-1

upstream raw materials:

4-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-2-fluoro-benzonitrile

4-bromo-3-fluorotoluene

2-fluoro-4-methylbenzonitrile

4-cyano-3-fluorobenzylbromide

Downstream raw materials:

tert-butyl ((3-aminobenzo[d]isoxazol-6-yl)methyl)carbamate

C₁₃H₁₈FN₃O₃

Boc-Aze-NHCH₂-Ph(3-F, 4-CN)

4-(tert-butoxycarbonylaminomethyl)-2-fluorobenzonitrile

Refernces

• 1、 -. "Mandelic acid derivatives and their use as throbin inhibitors". Page/Page column 46. . Retrieved 2008/06/13.
• 2、 Cui, Jingrong Jean,Araldi, Gian-Luca,Reiner, John E.,Reddy, Komandla Malla,Kemp, Scott J.,Ho, Jonathan Z.,Siev, Daniel V.,Mamedova, Lala,Gibson, Tony S.,Gaudette, John A.,Minami, Nathaniel K.,Anderson, Susanne M.,Bradbury, Annette E.,Nolan, Thomas G.,Semple. "Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates". . p. 2925 - 2930. Retrieved 2007/10/03.