3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one

Base Information

• Chemical Name: 3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one
• CAS No.: 62758-53-6
• Molecular Formula: C₁₅H₁₁NO₃
• Molecular Weight: 253.257
• DSSTox Substance ID: DTXSID30491164
• Wikidata: Q82335419

Synonyms:62758-53-6;3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one;DTXSID30491164

Chemical Property of 3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 253.07389321
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)ON1C(=O)C3=CC=CC=C3

Technology Process of 3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one

There total 1 articles about 3-Benzoyl-3,4-dihydro-1H-2,3-benzoxazin-1-one 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:

α-Bromo-o-toluyl Chloride (7115-90-4) + Benzohydroxamic acid (495-18-1) → 3-benzoyl-3,4-dihydro-benzo[d][1,2]oxazin-1-one (62758-53-6)

Guidance literature:

Multistep reaction; (i) NaH, benzene, (ii) /BRN= 1865064/, (iii) Et₃N;

Reference yield:

3-benzoyl-3,4-dihydro-benzo[d][1,2]oxazin-1-one (62758-53-6) → 2-(Hydroxyaminomethyl)-benzoesaeure (749153-56-8)

Guidance literature:

With hydrogenchloride;

Reference yield:

3-benzoyl-3,4-dihydro-benzo[d][1,2]oxazin-1-one (62758-53-6) → 2-<(Benzyliden)-aminomethyl>-benzoesaeure-N-oxid

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl

With hydrogenchloride;

upstream raw materials:

α-Bromo-o-toluyl Chloride

Benzohydroxamic acid

Downstream raw materials:

2-(Hydroxyaminomethyl)-benzoesaeure

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