[(2,4-Difluorophenyl)amino](oxo)acetic acid

Base Information

• Chemical Name: [(2,4-Difluorophenyl)amino](oxo)acetic acid
• CAS No.: 678556-81-5
• Molecular Formula: C₈H₅F₂NO₃
• Molecular Weight: 201.129
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80406642
• Wikidata: Q82211708
• Mol file: 678556-81-5.mol

Synonyms:[(2,4-difluorophenyl)amino](oxo)acetic acid;678556-81-5;2-(2,4-difluoroanilino)-2-oxoacetic acid;2-((2,4-Difluorophenyl)amino)-2-oxoacetic acid;[(2,4-difluorophenyl)carbamoyl]formic acid;SCHEMBL14829581;DTXSID80406642;MFCD04047027;AKOS005172237;LS-03110;CS-0314623;FT-0679593;2-((2,4-Difluorophenyl)amino)-2-oxoaceticacid

Chemical Property of [(2,4-Difluorophenyl)amino](oxo)acetic acid

Chemical Property:

• Refractive Index: 1.584
• PSA: 66.40000
• Density: 1.601g/cm³
• LogP: 1.06090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.02374935
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

[(2,4-difluorophenyl)amino](oxo)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)NC(=O)C(=O)O

Technology Process of [(2,4-Difluorophenyl)amino](oxo)acetic acid

There total 2 articles about [(2,4-Difluorophenyl)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-(2,4-difluorophenylamino)-2-oxoacetate (333441-80-8) → C8H5F2NO3 (678556-81-5)

Guidance literature:

With water; sodium hydroxide; In ethanol;

DOI:10.1021/jm3002247

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → C8H5F2NO3 (678556-81-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane

2: water; sodium hydroxide / ethanol

With water; triethylamine; sodium hydroxide; In ethanol; dichloromethane;

DOI:10.1021/jm3002247

Reference yield: 58.0%

C8H5F2NO3 (678556-81-5) + C11H19N3OS (1375737-18-0) → N1-(2,4-difluorophenyl)-N2-((5-(hydroxymethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide hydrochloride (1375736-80-3)

Guidance literature:

C₈H₅F₂NO₃; C₁₁H₁₉N₃OS; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine;

With hydrogenchloride;

DOI:10.1021/jm3002247

upstream raw materials:

ethyl 2-(2,4-difluorophenylamino)-2-oxoacetate

2,4-difluorophenylamine

Downstream raw materials:

N¹-(2,4-difluorophenyl)-N²-((5-(hydroxymethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide hydrochloride

N¹-(2,4-difluorophenyl)-N²-((5-(2-hydroxyethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide hydrochloride

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