4-Oxo-1-phenylazetidine-2-carbonyl chloride

Base Information

• Chemical Name: 4-Oxo-1-phenylazetidine-2-carbonyl chloride
• CAS No.: 65837-48-1
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.632
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60501260
• Mol file: 65837-48-1.mol

Synonyms:65837-48-1;4-Oxo-1-phenylazetidine-2-carbonyl chloride;DTXSID60501260

Chemical Property of 4-Oxo-1-phenylazetidine-2-carbonyl chloride

Chemical Property:

• Boiling Point: 411.3±38.0 °C(Predicted)
• PKA: -2.16±0.40(Predicted)
• PSA: 37.38000
• Density: 1.408±0.06 g/cm3(Predicted)
• LogP: 1.62230
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0243562
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Oxo-1-phenylazetidine-2-carbonyl chloride

There total 1 articles about 4-Oxo-1-phenylazetidine-2-carbonyl chloride 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) → 1-Phenyl-4-oxo-azetidin-2-carbonsaeurechlorid (65837-48-1)

Guidance literature:

With thionyl chloride; In benzene; for 2h; Heating;

Reference yield: 80.0%

1-Phenyl-4-oxo-azetidin-2-carbonsaeurechlorid (65837-48-1) + N,N-Dimethylhydrazine (57-14-7) → 4-(NN-dimethylhydrazinocarbonyl)-1-phenylazetidin-2-one (76228-05-2)

Guidance literature:

With triethylamine; In benzene; for 3h; Ambient temperature;

DOI:10.1039/P19800002105

Reference yield:

1-Phenyl-4-oxo-azetidin-2-carbonsaeurechlorid (65837-48-1) → 4-formyl-1-phenyl-2-azetidinone (80167-37-9)

Guidance literature:

With bis(triphenylphosphine)copper(I) tetrahydroborate; In acetone; for 1.33333h; Ambient temperature;

upstream raw materials:

1-Phenyl-4-oxo-azetidin-2-carbonsaeure

Downstream raw materials:

4-Diazoacetyl-1-phenyl-2-azetidinon

4-(NN-dimethylhydrazinocarbonyl)-1-phenylazetidin-2-one

4-formyl-1-phenyl-2-azetidinone

4-Diazodeuteroacetyl-1-phenyl-2-azetidinon