3-(4-Aminophenyl)-2-oxopropanoic acid

Base Information

• Chemical Name: 3-(4-Aminophenyl)-2-oxopropanoic acid
• CAS No.: 16921-36-1
• Molecular Formula: C9H9 N O3
• Molecular Weight: 179.1727
• DSSTox Substance ID: DTXSID00168679
• Nikkaji Number: J1.867.635D
• Wikidata: Q83038300
• Mol file: 16921-36-1.mol

Synonyms:4-aminophenylpyruvic acid;p-aminophenylpyruvic acid;para-aminophenylpyruvic acid

Chemical Property of 3-(4-Aminophenyl)-2-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 2.1E-06mmHg at 25°C
• Boiling Point: 378.5°Cat760mmHg
• Flash Point: 182.7°C
• PSA: 80.39000
• Density: 1.349g/cm³
• LogP: 1.04620
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Aminophenyl)-2-oxopropanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)N

Technology Process of 3-(4-Aminophenyl)-2-oxopropanoic acid

There total 1 articles about 3-(4-Aminophenyl)-2-oxopropanoic 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:

4-aminobenzaldehyde (556-18-3,28107-09-7) → 3-(4-aminophenyl)-2-oxopropanoic acid (16921-36-1)

Guidance literature:

Multistep reaction;

Reference yield:

3-(4-aminophenyl)-2-oxopropanoic acid (16921-36-1) → 3-(4-nitrophenyl)-2-oxopropanoic acid (38335-24-9)

Guidance literature:

With oxygen; phenazine methosulfate; iron(II) sulfate; NADH; In aq. buffer; at 20 ℃; for 1h; pH=5.5; Enzymatic reaction;

DOI:10.1038/nchembio.2374

Reference yield:

3-(4-aminophenyl)-2-oxopropanoic acid (16921-36-1) → 2-Thio-5-(4-aminobenzyl)-6-azauracil (77441-94-2)

Guidance literature:

Multi-step reaction with 2 steps

2: 85 percent / potassium carbonate / H₂O / 2 h / Heating

With potassium carbonate; In water;

upstream raw materials:

4-aminobenzaldehyde

Downstream raw materials:

2-Thio-5-(4-aminobenzyl)-6-azauracil

6-(4-Amino-benzyl)-2H-[1,2,4]triazine-3,5-dithione

(+)-Obafluorin

(2S,3R)-2-<(2,3-Dihydroxybenzoyl)amino>-3-hydroxy-4-(4-nitrophenyl)butanoic acid