2-amino-N-(4-fluorobenzyl)benzamide

Base Information

• Chemical Name: 2-amino-N-(4-fluorobenzyl)benzamide
• CAS No.: 827006-84-8
• Molecular Formula: C14H13FN2O
• Molecular Weight: 244.268
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00388012
• Nikkaji Number: J2.791.745C
• Wikidata: Q82182680
• ChEMBL ID: CHEMBL1603801
• Mol file: 827006-84-8.mol

Synonyms:2-amino-N-(4-fluorobenzyl)benzamide;827006-84-8;2-amino-N-[(4-fluorophenyl)methyl]benzamide;MLS000683922;CHEMBL1603801;DTXSID00388012;HMS2739P09;MFCD06623728;N-(4-Fluorobenzyl)-2-aminobenzamide;AKOS000124730;BS-36143;SMR000295683;FT-0723788;SR-01000289225;SR-01000289225-1;Z56040878

Chemical Property of 2-amino-N-(4-fluorobenzyl)benzamide

Chemical Property:

• Vapor Pressure: 8.82E-09mmHg at 25°C
• Boiling Point: 463.8°C at 760 mmHg
• Flash Point: 234.3°C
• PSA: 55.12000
• Density: 1.24g/cm³
• LogP: 3.31000
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.10119120
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

2-Amino-N-(4-fluorobenzyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)F)N

Technology Process of 2-amino-N-(4-fluorobenzyl)benzamide

There total 2 articles about 2-amino-N-(4-fluorobenzyl)benzamide 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: 86.0%

isatoic anhydride (118-48-9) + para-fluorobenzylamine (140-75-0) → 2-amino-N-(4-fluorobenzyl)benzamide (827006-84-8)

Guidance literature:

With aqueous extract of mesocarp of fruit of Balanites roxburghii plant; at 60 ℃; for 0.416667h;

DOI:10.1039/c4ra09514f

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + para-fluorobenzylamine (140-75-0) → 2-amino-N-(4-fluorobenzyl)benzamide (827006-84-8)

Guidance literature:

In N,N-dimethyl-formamide; at 50 - 60 ℃; for 1h;

DOI:10.1021/acs.joc.1c02067

Reference yield: 86.0%

2-amino-N-(4-fluorobenzyl)benzamide (827006-84-8) + acenaphthene quinone (82-86-0) → 3'-(4-fluorobenzyl)-1'H,2H-spiro[acenaphthylene-1,2'-quinazoline]-2,4'(3'H)-dione

Guidance literature:

With iodine; at 50 ℃; for 8h; Ionic liquid; Inert atmosphere; Green chemistry;

DOI:10.1007/s11164-016-2807-1

upstream raw materials:

isatoic anhydride

para-fluorobenzylamine

indole-2,3-dione

Downstream raw materials:

3-(4-fluorobenzyl)quinazolin-2,4(1H,3H)-dione

[3-(4-Fluoro-benzyl)-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl]-acetic acid

[3-(4-Fluoro-benzyl)-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl]-acetic acid ethyl ester

C₂₁H₁₈FN₃O