[(4-Fluorophenyl)amino](oxo)acetic acid

Base Information

• Chemical Name: [(4-Fluorophenyl)amino](oxo)acetic acid
• CAS No.: 69066-43-9
• Molecular Formula: C8H6FNO3
• Molecular Weight: 183.139
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40607133
• Wikidata: Q82506087
• Mol file: 69066-43-9.mol

Synonyms:69066-43-9;[(4-fluorophenyl)amino](oxo)acetic acid;2-((4-Fluorophenyl)amino)-2-oxoacetic acid;2-(4-fluoroanilino)-2-oxoacetic acid;2-(4-Fluoroanilino)-2-oxo-acetic acid;[(4-fluorophenyl)carbamoyl]formic acid;SCHEMBL2200065;DTXSID40607133;(4-Fluoroanilino)(oxo)acetic acid;BBL000519;MFCD09864524;STK499903;AKOS005172218;AS-65470;2-((4-Fluorophenyl)amino)-2-oxoaceticacid;CS-0062179;W17418

Chemical Property of [(4-Fluorophenyl)amino](oxo)acetic acid

Chemical Property:

• Refractive Index: 1.61
• PSA: 66.40000
• Density: 1.509g/cm³
• LogP: 0.92180
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.03317122
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

[(4-Fluorophenyl)amino](oxo)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)C(=O)O)F

Technology Process of [(4-Fluorophenyl)amino](oxo)acetic acid

There total 3 articles about [(4-Fluorophenyl)amino](oxo)acetic 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:

ethyl 2-(4-fluorophenylamino)-2-oxoacetate (69065-91-4) → 2-((4-fluorophenyl)amino)-2-oxoacetic acid (69066-43-9)

Guidance literature:

ethyl 2-(4-fluorophenylamino)-2-oxoacetate; With water; sodium hydroxide; In tetrahydrofuran; methanol; at 0 - 20 ℃;

With hydrogenchloride; In water; pH=2;

DOI:10.1016/j.bmcl.2009.10.098

Reference yield:

methyl 2-[(4-fluorophenyl)amino]-2-oxoacetate (69066-46-2) → 2-((4-fluorophenyl)amino)-2-oxoacetic acid (69066-43-9)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.bmcl.2003.12.106

Reference yield:

4-fluoroaniline (371-40-4) → 2-((4-fluorophenyl)amino)-2-oxoacetic acid (69066-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / 0 - 20 °C

2: aq. LiOH / dioxane / 20 °C

With lithium hydroxide; triethylamine; In 1,4-dioxane;

DOI:10.1016/j.bmcl.2003.12.106

upstream raw materials:

methyl 2-[(4-fluorophenyl)amino]-2-oxoacetate

4-fluoroaniline

ethyl 2-(4-fluorophenylamino)-2-oxoacetate

Downstream raw materials:

C₁₇H₂₄FN₃O₂

C₁₆H₁₁FN₂O₄

C₈H₅ClFNO₂

(S)-5-(2,6-difluorophenoxy)-3-[(4-fluoro-phenylaminooxalyl)-amino]-4-oxo-pentanoic acid

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