2-Fluoro-6-nitro-N-phenylbenzamide

Base Information

• Chemical Name: 2-Fluoro-6-nitro-N-phenylbenzamide
• CAS No.: 870281-83-7
• Molecular Formula: C13H9FN2O3
• Molecular Weight: 260.224
• Hs Code.: 2924297099
• European Community (EC) Number: 811-702-9
• Mol file: 870281-83-7.mol

Synonyms:2-FLUORO-6-NITRO-N-PHENYLBENZAMIDE;870281-83-7;MFCD16875530;Benzamide, 2-fluoro-6-nitro-N-phenyl-;SCHEMBL356638;GQVRPSFDUVNMDA-UHFFFAOYSA-N;BBL101363;STL555159;AKOS005258913;CS-O-32108;AC-30094;AS-10759;CS-0149876;FT-0702552;C76845;2-Fluoro-6-nitro-N-phenylbenzamide, AldrichCPR;A862923

Chemical Property of 2-Fluoro-6-nitro-N-phenylbenzamide

Chemical Property:

• Melting Point: 163-165℃
• Boiling Point: 342.4±32.0 °C(Predicted)
• PKA: 11.57±0.70(Predicted)
• PSA: 74.92000
• Density: 1.411±0.06 g/cm3 (20℃ 760 Torr)
• LogP: 3.58240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.05972032
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

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

2-Fluoro-6-nitro-N-phenylbenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)[N+](=O)[O-]

Technology Process of 2-Fluoro-6-nitro-N-phenylbenzamide

There total 4 articles about 2-Fluoro-6-nitro-N-phenylbenzamide 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: 99.0%

aniline (62-53-3) + 2-fluoro-6-nitrobenzoyl chloride (50424-88-9) → 2-fluoro-6-nitro-N-phenyl-benzamide (870281-83-7)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; water;

DOI:10.1021/ol070276c

Reference yield: 98.5%

6-fluoro-2-nitrobenzoic acid (385-02-4) + aniline (62-53-3) → 2-fluoro-6-nitro-N-phenyl-benzamide (870281-83-7)

Guidance literature:

6-fluoro-2-nitrobenzoic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 25 ℃; for 1h;

aniline; In N,N-dimethyl-formamide; for 5h; Reagent/catalyst;

Reference yield: 86.0%

2-fluoro-5-nitrobenzoic acid (7304-32-7) + aniline (62-53-3) → 2-fluoro-6-nitro-N-phenyl-benzamide (870281-83-7)

Guidance literature:

2-fluoro-5-nitrobenzoic acid; With Chloro-oxo-acetic acid; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 3h;

aniline; With sodium hydrogencarbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 1.5h;

DOI:10.1039/c8ra00407b

upstream raw materials:

aniline

2-fluoro-6-nitrobenzoyl chloride

6-fluoro-2-nitrobenzoic acid

2-fluoro-5-nitrobenzoic acid

Downstream raw materials:

tert-butyl (R)-1-(2-fluoro-6-nitro-N-phenylbenzamido)-1-oxobutan-2-ylcarbamate

(S)-[1-(2-fluoro-6-nitro-benzoy)phenylaminocarbonyl]propyl carbamic acid tert-butyl ester

(S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

2-amino-6-fluoro-N-phenyl-benzamide

Refernces

• 1、 -. "Substituted aminopyrimidine compounds and their method and use thereof". Paragraph 1144; 1145; 1146; 1147. . Retrieved 2017/12/28.
• 2、 -. "PROCESS FOR THE PREPARATION OF IDELALISIB". Page/Page column 9; 10. . Retrieved 2018/04/11.