Imidafenacin Impurity

Base Information

• Chemical Name: Imidafenacin Impurity
• CAS No.: 503598-07-0
• Molecular Formula: C₁₈H₁₈N₂O₄
• Molecular Weight: 326.352
• UNII: 4DZ5IE80WL
• Nikkaji Number: J2.473.320C
• Mol file: 503598-07-0.mol

Synonyms:503598-07-0;Imidafenacin Impurity;Imidafenacin metabolite M5;UNII-4DZ5IE80WL;4DZ5IE80WL;N-(3-Carbamoyl-3,3-diphenylpropyl)oxamic acid;2-((4-Amino-4-oxo-3,3-diphenylbutyl)amino)-2-oxoacetic acid;2-[(4-amino-4-oxo-3,3-diphenylbutyl)amino]-2-oxoacetic acid;Acetic acid, 2-((4-amino-4-oxo-3,3-diphenylbutyl)amino)-2-oxo-;IMidafenacin IMpurity (N-(3-CarbaMoyl-3,3-Diphenylpropyl)-OxaMic Acid);N-(3,3-Diphenyl-4-oxo-4-aminobutyl)-2-oxoglycine

Chemical Property of Imidafenacin Impurity

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 326.12665706
• Heavy Atom Count: 24
• Complexity: 448

Purity/Quality:

>95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCNC(=O)C(=O)O)(C2=CC=CC=C2)C(=O)N

Technology Process of Imidafenacin Impurity

There total 5 articles about Imidafenacin Impurity 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: 63.0%

ethyl N-(3-carbamoyl-3,3-diphenylpropyl)oxamic acid ester (503598-82-1) → N-(3-carbamoyl-3,3-diphenylpropyl)oxamic acid (503598-07-0)

Guidance literature:

With sodium carbonate; In ethanol; for 4h; Heating;

DOI:10.1248/cpb.55.1039

Reference yield:

C30H30N2O (503598-74-1) → N-(3-carbamoyl-3,3-diphenylpropyl)oxamic acid (503598-07-0)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Perlman's catalyst

2: 67 percent / Et₃N / CH₂Cl₂ / 0.17 h / 20 °C

3: 63 percent / aq. Na₂CO₃ / ethanol / 4 h / Heating

With hydrogen; sodium carbonate; triethylamine; palladium hydroxide - carbon; In ethanol; dichloromethane;

DOI:10.1248/cpb.55.1039

Reference yield:

Diphenylacetonitrile (86-29-3) → N-(3-carbamoyl-3,3-diphenylpropyl)oxamic acid (503598-07-0)

Guidance literature:

Multi-step reaction with 5 steps

1: NaH / dimethylformamide

2: aq. KOH / propan-2-ol

3: H₂ / Perlman's catalyst

4: 67 percent / Et₃N / CH₂Cl₂ / 0.17 h / 20 °C

5: 63 percent / aq. Na₂CO₃ / ethanol / 4 h / Heating

With potassium hydroxide; hydrogen; sodium hydride; sodium carbonate; triethylamine; palladium hydroxide - carbon; In ethanol; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol;

DOI:10.1248/cpb.55.1039

upstream raw materials:

ethyl N-(3-carbamoyl-3,3-diphenylpropyl)oxamic acid ester

4-amino-2-diphenylbutanamide

C₃₀H₃₀N₂O

Diphenylacetonitrile

Refernces