3-Ethenyl-1,3-benzoxazol-2(3H)-one

Base Information

• Chemical Name: 3-Ethenyl-1,3-benzoxazol-2(3H)-one
• CAS No.: 22156-08-7
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• DSSTox Substance ID: DTXSID80503488
• Nikkaji Number: J882.504A
• Wikidata: Q82357358
• Mol file: 22156-08-7.mol

Synonyms:22156-08-7;3-vinylbenzoxazolinone;3-Ethenyl-1,3-benzoxazol-2(3H)-one;SCHEMBL6362399;DTXSID80503488

Chemical Property of 3-Ethenyl-1,3-benzoxazol-2(3H)-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 215

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CN1C2=CC=CC=C2OC1=O

Technology Process of 3-Ethenyl-1,3-benzoxazol-2(3H)-one

There total 2 articles about 3-Ethenyl-1,3-benzoxazol-2(3H)-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: 76.0%

(2-oxobenzoxazolin-3-ylmethyl)triphenylphosphonium chloride (25361-64-2) → 3-methylbenzo[d]oxazol-2(3H)-one (21892-80-8) + 3-vinylbenzoxazole-2-one (22156-08-7) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With formaldehyd; sodium carbonate; In chloroform; water; for 1h; Ambient temperature;

DOI:10.1007/BF00568378

Reference yield: 19.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (2-oxobenzoxazolin-3-ylmethyl)triphenylphosphonium chloride (25361-64-2) → 3-methylbenzo[d]oxazol-2(3H)-one (21892-80-8) + 3-vinylbenzoxazole-2-one (22156-08-7) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With sodium carbonate; In chloroform; water; for 1h; Ambient temperature;

DOI:10.1007/BF00568378

Reference yield:

3-vinylbenzoxazole-2-one (22156-08-7) → 2-Benzoxazolinone (59-49-4) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With hydrogenchloride; water; In ethanol; at 59.9 ℃; Kinetics; Rate constant; diff.temperatures E_act diff.conc of HCl;

DOI:10.1007/BF00506372

upstream raw materials:

formaldehyd

(2-oxobenzoxazolin-3-ylmethyl)triphenylphosphonium chloride

Downstream raw materials:

2-Benzoxazolinone

acetaldehyde