p-Fluorohippuric acid

Base Information

• Chemical Name: p-Fluorohippuric acid
• CAS No.: 366-79-0
• Molecular Formula: C9H7FNO3-
• Molecular Weight: 197.166
• Hs Code.: 2924299090
• UNII: 6DD1839D93
• DSSTox Substance ID: DTXSID30351395
• Nikkaji Number: J991.169C
• Wikidata: Q27264564
• Mol file: 366-79-0.mol

Synonyms:4-fluorohippuric acid;para-(18F)fluorohippurate;para-FHA;para-fluorohippuric acid

Chemical Property of p-Fluorohippuric acid

Chemical Property:

• Vapor Pressure: 4.45E-08mmHg at 25°C
• Melting Point: 173 °C
• Boiling Point: 427.7°Cat760mmHg
• Flash Point: 212.5°C
• PSA: 66.40000
• Density: 1.358g/cm³
• LogP: 1.03100
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.04882128
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99%min ^*data from raw suppliers

2-[(4-fluorophenyl)formamido]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)F

Technology Process of p-Fluorohippuric acid

There total 8 articles about p-Fluorohippuric acid 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: 76.0%

p-fluorobenzoic acid succinimidyl ester (66134-67-6) + glycine (56-40-6,18875-39-3,25718-94-9) → p-fluorohippuric Acid (366-79-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1002/jlcr.1748

Reference yield: 61.3%

→ p-fluorohippuric Acid (366-79-0)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at 20 ℃; for 12h;

Reference yield: 37.0%

sodium glycinate (6000-44-8) + 4-fluorobenzoyl chloride (403-43-0) → p-fluorohippuric Acid (366-79-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm980456f

upstream raw materials:

4-fluorobenzoyl chloride

glycine

flupirtine maleate

sodium glycinate

Downstream raw materials:

C₂₀H₁₇FN₄O₂

C₁₉H₁₆FN₃O₂S

rac-4-fluoro-N-{[(phenylpyridazin-3-ylmethyl)carbamoyl]methyl}benzamide

Refernces

• 1、 Eeda, Venkateswararao,Herlea-Pana, Oana,Lim, Hui-Ying,Wang, Weidong. "Discovery of N-(2-(Benzylamino)-2-oxoethyl)benzamide analogs as a novel scaffold of pancreatic β-cell protective agents against endoplasmic reticulum stress". . p. 388 - 393. Retrieved 2020/01/02.
• 2、 -. "PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF". Page/Page column 45; 50. . Retrieved 2017/11/10.