5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one

Base Information

Chemical Name:5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one
CAS No.:33664-90-3
Molecular Formula:C₁₁H₁₁NO₂
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID50525839
Wikidata:Q82393751

Synonyms:33664-90-3;SCHEMBL8024893;DTXSID50525839;5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one

Suppliers and Price of 5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=NC(=O)O1)C2=CC=CC=C2)C

Technology Process of 5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-one

There total 4 articles about 5,5-Dimethyl-4-phenyl-1,3-oxazol-2(5H)-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: 69.0%

: 89849-05-8
3,3-Dimethyl-2-phenyl-oxirane-2-carbonyl azide

: 33664-90-3
5,5-Dimethyl-4-phenyl-3-oxazolin-2-one

Guidance literature:: 1.) room temperature, 5 d, 2.) 80 deg C, 4 h;
DOI:10.1021/jo00186a030

Reference yield:

: 89848-88-4
3,3-Dimethyl-2-phenyl-oxirane-2-carbonyl chloride

: 33664-90-3
5,5-Dimethyl-4-phenyl-3-oxazolin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazoic acid, pyridine / diethyl ether; benzene / 1 h / -20 to 10 deg C

2: 69 percent / 1.) room temperature, 5 d, 2.) 80 deg C, 4 h

With pyridine; hydrogen azide; In diethyl ether; benzene;
DOI:10.1021/jo00186a030

Reference yield:

: 24568-18-1
Sodium; 3,3-dimethyl-2-phenyl-oxirane-2-carboxylate

: 33664-90-3
5,5-Dimethyl-4-phenyl-3-oxazolin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride, pyridine / tetrahydrofuran / 1 h / Ambient temperature

2: hydrazoic acid, pyridine / diethyl ether; benzene / 1 h / -20 to 10 deg C

3: 69 percent / 1.) room temperature, 5 d, 2.) 80 deg C, 4 h

With pyridine; hydrogen azide; oxalyl dichloride; In tetrahydrofuran; diethyl ether; benzene;
DOI:10.1021/jo00186a030