2-Amino-5-fluorobenzamide

Base Information

• Chemical Name: 2-Amino-5-fluorobenzamide
• CAS No.: 63069-49-8
• Molecular Formula: C7H7FN2O
• Molecular Weight: 154.144
• Hs Code.: 2924299090
• European Community (EC) Number: 834-914-3
• DSSTox Substance ID: DTXSID60437116
• Wikidata: Q72437065
• Mol file: 63069-49-8.mol

Synonyms:2-Amino-5-fluorobenzamide;63069-49-8;2-amino-5-fluoro-benzamide;Benzamide, 2-amino-5-fluoro-;MFCD03428522;5-FLUOROANTHRANILAMIDE;SCHEMBL183930;DTXSID60437116;RHJMYIPLYKQZJM-UHFFFAOYSA-N;AM1109;AKOS005259888;CS-W005552;PS-8875;SB75778;AC-16283;SY047056;A8705;FT-0601464;FT-0612083;EN300-43370;F2163-0183;Z376434962

Chemical Property of 2-Amino-5-fluorobenzamide

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Melting Point: 143-148℃
• Refractive Index: 1.604
• Boiling Point: 259.286 °C at 760 mmHg
• PKA: 15.23±0.50(Predicted)
• Flash Point: 110.613 °C
• PSA: 69.11000
• Density: 1.345 g/cm³
• LogP: 1.78830
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.05424101
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

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

2-Amino-5-fluoro-benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)N)N
• Uses: 2-Amino-5-fluoro-benzamide?is a useful reagent to prepare various quinazolinones including the enantioselective synthesis of fluoro-dihydroquinazolones and -benzooxazinones.

Technology Process of 2-Amino-5-fluorobenzamide

There total 9 articles about 2-Amino-5-fluorobenzamide 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%

2-nitro-5-fluorobenzamide (77206-97-4) → 2-amino-5-fluorobenzamide (63069-49-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 5h;

Reference yield: 83.0%

5-fluoro-1H-indole-2,3-dione (443-69-6) → 2-amino-5-fluorobenzamide (63069-49-8)

Guidance literature:

With ammonium hydroxide; dihydrogen peroxide; In dimethyl sulfoxide; at 20 - 30 ℃; for 4h; Sealed tube;

DOI:10.1016/j.tet.2019.01.067

Reference yield: 82.0%

2-amino-5-fluorobenzoic acid (446-08-2) → 2-amino-5-fluorobenzamide (63069-49-8)

Guidance literature:

2-amino-5-fluorobenzoic acid; With phosgene; In tetrahydrofuran; toluene; at 20 ℃; for 18h;

With ammonia; In tetrahydrofuran; water; toluene; at 0 - 20 ℃; for 1h;

upstream raw materials:

2-amino-5-fluorobenzoic acid

5-fluoro-1H-indole-2,3-dione

2-nitro-5-fluorobenzamide

5-fluoro-2-nitrobenzoic acid

Downstream raw materials:

N-(2-Carbamoyl-4-fluoro-phenyl)-nicotinamide

C₁₄H₈ClFN₂

C₁₄H₇ClF₂N₂

4-anilino-6-fluoro-2-phenylquinazoline

Refernces

• 1、 -. "COMBINATION THERAPY FOR TREATING MPS1". Paragraph 0603; 0605-0607. . Retrieved 2021/08/14.
• 2、 -. "POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS". Page/Page column 77. . Retrieved 2018/07/29.