5(4H)-Oxazolone, 2-(4-chlorophenyl)-

Base Information

Chemical Name:5(4H)-Oxazolone, 2-(4-chlorophenyl)-
CAS No.:22887-53-2
Molecular Formula:C9H6ClNO2
Molecular Weight:195.605
Hs Code.:
DSSTox Substance ID:DTXSID60473751
Nikkaji Number:J3.311.961E
Wikidata:Q82303360
Mol file:22887-53-2.mol

Synonyms:22887-53-2;5(4H)-Oxazolone, 2-(4-chlorophenyl)-;2-(4-chlorophenyl)oxazol-5(4H)-one;SCHEMBL8915564;DTXSID60473751

Suppliers and Price of 5(4H)-Oxazolone, 2-(4-chlorophenyl)-

Supply Marketing:

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

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Chemical Property of 5(4H)-Oxazolone, 2-(4-chlorophenyl)-

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.0087061
Heavy Atom Count:13
Complexity:244

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl

Technology Process of 5(4H)-Oxazolone, 2-(4-chlorophenyl)-

There total 2 articles about 5(4H)-Oxazolone, 2-(4-chlorophenyl)- 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%

: 13450-77-6
4-chlorohippuric acid

: 22887-53-2
2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.75h; Inert atmosphere;
DOI:10.1021/acs.orglett.5b03666

Reference yield:

: 122-01-0
4-chloro-benzoyl chloride

: 22887-53-2
2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on

Guidance literature:: Multi-step reaction with 2 steps

2: acetic anhydride / Heating

In acetic anhydride;
DOI:10.1021/ja00542a028

Reference yield: 83.0%

: 941-69-5
N-phenyl-maleimide

: 22887-53-2
2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on

: 18107-18-1
diazomethyl-trimethyl-silane

: 1360824-99-2
(1R,3aS,6aR)-4,6-dioxo-3-(4-chlorophenyl)-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester

Guidance literature:: N-phenyl-maleimide; 2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on; With [(Sa)-Binap-AuTFA]2; triethylamine; In toluene; at 25 ℃; for 24h; Darkness;

diazomethyl-trimethyl-silane; In hexane; toluene; at 0 - 25 ℃; for 0.5h; enantioselective reaction; Darkness;
DOI:10.3762/bjoc.9.280