N-(4-fluorophenyl)-4-nitrobenzamide

Base Information

• Chemical Name: N-(4-fluorophenyl)-4-nitrobenzamide
• CAS No.: 347-81-9
• Molecular Formula: C13H9 F N2 O3
• Molecular Weight: 260.224
• Hs Code.: 2924299090
• European Community (EC) Number: 659-199-3
• NSC Number: 204252
• DSSTox Substance ID: DTXSID10308463
• Nikkaji Number: J881.966A
• Wikidata: Q82056359
• Mol file: 347-81-9.mol

Synonyms:N-(4-fluorophenyl)-4-nitrobenzamide;347-81-9;Benzamide, N-(4-fluorophenyl)-4-nitro-;NSC204252;CBMicro_009556;Oprea1_364433;Oprea1_826377;SCHEMBL8711539;DTXSID10308463;SMSF0005380;MFCD00171570;STK039082;4'-FLUORO-4-NITROBENZANILIDE;4-Nitro-N-(4-fluorophenyl)benzamide;AKOS002961173;CB12706;NSC-204252;LS-07372;BIM-0009532.P001;SR-01000200721;SR-01000200721-1;Z27805859

Chemical Property of N-(4-fluorophenyl)-4-nitrobenzamide

Chemical Property:

• Vapor Pressure: 0.000105mmHg at 25°C
• Boiling Point: 337.4°C at 760 mmHg
• Flash Point: 157.9°C
• PSA: 74.92000
• Density: 1.411g/cm³
• LogP: 3.58240
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.05972032
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Fluorophenyl)-4-nitrobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Technology Process of N-(4-fluorophenyl)-4-nitrobenzamide

There total 3 articles about N-(4-fluorophenyl)-4-nitrobenzamide 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: 95.0%

4-nitro-benzoyl chloride (122-04-3) + 4-fluoroaniline (371-40-4) → 4-nitro-N-(4-fluorophenyl)benzamide (347-81-9)

Guidance literature:

With pyridine; for 24h; Ambient temperature;

Reference yield: 50.0%

4-nitrobenzanilide (3460-11-5) → 4-nitro-N-(4-fluorophenyl)benzamide (347-81-9)

Guidance literature:

With bis(tertbutylcarbonyloxy)iodobenzene; pyridine hydrogenfluoride; In dichloromethane; at 20 ℃; for 12h; regioselective reaction;

DOI:10.1021/jo302099d

Reference yield:

4-fluoroaniline (371-40-4) + 4-nitro-benzoic acid (62-23-7) → 4-nitro-N-(4-fluorophenyl)benzamide (347-81-9)

Guidance literature:

upstream raw materials:

4-nitro-benzoyl chloride

4-fluoroaniline

4-nitro-benzoic acid

4-nitrobenzanilide

Downstream raw materials:

4-amino-N-(4-fluorophenyl)benzamide

6-fluoro-2-(4-(2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-1-yl)phenyl)benzo[d]thiazole

6-fluoro-2-(4-(2-methyl-5-(4-nitrophenyl)-1H-pyrrol-1-yl)phenyl)benzo[d]thiazole

6-fluoro-2-(4-(2-(4-methoxyphenyl)-5-methyl-1H-pyrrol-1-yl)phenyl)benzo[d]thiazole

Refernces

• 1、 Luzzio, Frederick A.,Monsen, Paige J.. "Applicability of aluminum amalgam to the reduction of arylnitro groups". supporting information. . Retrieved 2020/11/02.
• 2、 Adel, Mai,Serya, Rabah A.T.,Lasheen, Deena S.,Abouzid, Khaled A.M.. "Identification of new pyrrolo[2,3-d]pyrimidines as potent VEGFR-2 tyrosine kinase inhibitors: Design, synthesis, biological evaluation and molecular modeling". . p. 612 - 629. Retrieved 2018/09/29.