4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole

Base Information

Chemical Name:4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole
CAS No.:42407-05-6
Molecular Formula:C11H12N2O3
Molecular Weight:220.228
Hs Code.:
DSSTox Substance ID:DTXSID30348684
Nikkaji Number:J922.765B
Wikidata:Q82123651
Mol file:42407-05-6.mol

Synonyms:42407-05-6;4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole;2-{4-nitrophenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole;4,5-DIHYDRO-4,4-DIMETHYL-2-(4-NITROPHENYL)OXAZOLE;Oprea1_039648;oxazole, 4,5-dihydro-4,4-dimethyl-2-(4-nitrophenyl)-;4,4-dimethyl-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole;DTXSID30348684;2-(4-Nitrophenyl)-4,4-dimethyl-2-oxazoline;AA-516/12432245

Suppliers and Price of 4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole

Chemical Property:

PSA：67.41000
LogP:2.10900
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:220.08479225
Heavy Atom Count:16
Complexity:312

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of 4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole

There total 9 articles about 4,4-dimethyl-2-(4-nitrophenyl)-5H-1,3-oxazole 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: 93.0%

: 124-68-5
2-Amino-2-methyl-1-propanol

: 619-72-7
4-nitrobenzonitrile

: 42407-05-6
4,4-dimethyl-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole

Guidance literature:: With Kaolinitic clay; at 165 ℃; for 24h;
DOI:10.1016/S0040-4039(97)10575-5

Reference yield: 91.0%

: 555-16-8
4-nitrobenzaldehdye

: 124-68-5
2-Amino-2-methyl-1-propanol

: 42407-05-6
4,4-dimethyl-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole

Guidance literature:: 4-nitrobenzaldehdye; 2-Amino-2-methyl-1-propanol; In dichloromethane; at 25 ℃; for 16h; Inert atmosphere; Molecular sieve;

With N-Bromosuccinimide; potassium carbonate; In dichloromethane; at 25 ℃; for 8h; Molecular sieve; Inert atmosphere;
DOI:10.1039/d0ob02016h

Reference yield: 90.0%

: 124-68-5
2-Amino-2-methyl-1-propanol

: 4231-71-4
1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone

: 42407-05-6
4,4-dimethyl-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole

Guidance literature:: 2-Amino-2-methyl-1-propanol; 1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone; In chloroform; at 80 ℃; for 0.166667h; under 206.859 - 517.148 Torr; microwave irradiation;

With thionyl chloride; In chloroform; at 80 ℃; for 0.0333333h; microwave irradiation;
DOI:10.1021/jo0355092