4-Benzoyloxy-2-azetidinone

Base Information

• Chemical Name: 4-Benzoyloxy-2-azetidinone
• CAS No.: 28562-58-5
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.186
• Hs Code.: 2933790090
• European Community (EC) Number: 677-990-1
• DSSTox Substance ID: DTXSID70369196,DTXSID90876271
• Nikkaji Number: J254.900J
• Wikidata: Q82156240
• Mol file: 28562-58-5.mol

Synonyms:4-Benzoyloxy-2-azetidinone;28562-58-5;4-oxoazetidin-2-yl benzoate;(4-oxoazetidin-2-yl) benzoate;4-Benzoyloxyazetidin-2-one;2-Azetidinone,4-(benzoyloxy)-;2-Azetidinone, 4-(benzoyloxy)-;4-benzoyloxyazetidinone;4-oxoazetidin-2-ylbenzoate;SCHEMBL1132511;DTXSID70369196;DTXSID90876271;MFCD00012317;AKOS006228172;AZETIDIN-2-ONE,4-BENZOYLOXY-;MB00216;4-Oxo-2-azetidinyl benzoate, AldrichCPR;AS-60194;B1391;CS-0207163;FT-0638786;A876691

Chemical Property of 4-Benzoyloxy-2-azetidinone

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 1.2E-06mmHg at 25°C
• Melting Point: 100 °C
• Refractive Index: 1.583
• Boiling Point: 401.2 °C at 760 mmHg
• PKA: 13.08±0.40(Predicted)
• Flash Point: 196.5 °C
• PSA: 55.40000
• Density: 1.3 g/cm³
• LogP: 1.01820
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

4-Benzoyloxy-2-azetidinone ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC1=O)OC(=O)C2=CC=CC=C2

Technology Process of 4-Benzoyloxy-2-azetidinone

There total 3 articles about 4-Benzoyloxy-2-azetidinone 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: 53.0%

4-benzoyloxy-1-(4-methoxyphenyl)azetidin-2-one (127756-67-6) → 4-oxoazetidin-2-yl benzoate (28562-58-5,129329-84-6)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at -10 ℃; for 0.5h;

Reference yield:

tert-Butyl peroxybenzoate (614-45-9) → 4-oxoazetidin-2-yl benzoate (28562-58-5,129329-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 46 percent / cupric octanoate / benzene / 6 h / Heating

2: 53 percent / ceric ammonium nitrate / acetonitrile; H₂O / 0.5 h / -10 °C

With ammonium cerium(IV) nitrate; copper(II) octanoate; In water; acetonitrile; benzene;

Reference yield:

→ 4-oxoazetidin-2-yl benzoate (28562-58-5,129329-84-6)

Guidance literature:

upstream raw materials:

4-benzoyloxy-1-(4-methoxyphenyl)azetidin-2-one

tert-Butyl peroxybenzoate

Downstream raw materials:

4-(propargyloxy)-2-azetidinone