4-Oxo-1-phenylazetidine-2-carboxylic acid

Base Information

• Chemical Name: 4-Oxo-1-phenylazetidine-2-carboxylic acid
• CAS No.: 77692-61-6
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18300
• DSSTox Substance ID: DTXSID20504494
• Mol file: 77692-61-6.mol

Synonyms:4-oxo-1-phenylazetidine-2-carboxylic acid;DTXSID20504494;AKOS015907591;4-oxo-1-phenyl-2-azetidinecarboxylic acid

Chemical Property of 4-Oxo-1-phenylazetidine-2-carboxylic acid

Chemical Property:

• PSA: 57.61000
• LogP: 0.94150
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

98.5% ^*data from raw suppliers

4-Oxo-1-phenylazetidin-2-ylhydrogencarbonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(N(C1=O)C2=CC=CC=C2)C(=O)O

Technology Process of 4-Oxo-1-phenylazetidine-2-carboxylic acid

There total 4 articles about 4-Oxo-1-phenylazetidine-2-carboxylic 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:

→ 1-Phenyl-4-oxo-azetidin-2-carbonsaeure (77692-61-6)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01167a099

Reference yield:

anilino-malonic acid dibenzyl ester (409109-82-6) → 1-Phenyl-4-oxo-azetidin-2-carbonsaeure (77692-61-6)

Guidance literature:

Multi-step reaction with 3 steps

1: chloroacetic acid-anhydride / Behandeln des Reaktionsprodukts mit Triaethylamin in Benzol

2: palladium/charcoal; ethyl acetate / Hydrogenation

3: 130 °C

With palladium on activated charcoal; ethyl acetate; Chloroacetic anhydride;

DOI:10.1021/ja01167a099

Reference yield:

4-oxo-1-phenyl-azetidine-2,2-dicarboxylic acid dibenzyl ester (408537-95-1) → 1-Phenyl-4-oxo-azetidin-2-carbonsaeure (77692-61-6)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/charcoal; ethyl acetate / Hydrogenation

2: 130 °C

With palladium on activated charcoal; ethyl acetate;

DOI:10.1021/ja01167a099

upstream raw materials:

pyridine

4-oxo-1-phenyl-azetidine-2,2-dicarboxylic acid

anilino-malonic acid dibenzyl ester

4-oxo-1-phenyl-azetidine-2,2-dicarboxylic acid dibenzyl ester

Downstream raw materials:

4-hydroxymethyl-1-phenyl-2-azetidinone

1-Phenyl-4-oxo-azetidin-2-carbonsaeurechlorid

2,2a-dihydro-1H-azeto<1,2-a>quinoxaline-1,3(4H)-dione

1-(4-aminophenyl)-4-oxoazetidine-2-carboxylic acid