3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid

Base Information

Chemical Name:3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid
CAS No.:61656-43-7
Molecular Formula:C12H11NO3
Molecular Weight:217.224
Hs Code.:
ChEMBL ID:CHEMBL2442685
DSSTox Substance ID:DTXSID80491694
Nikkaji Number:J2.682.206H
Wikidata:Q27451538

Synonyms:3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid;61656-43-7;SCHEMBL1586577;CHEMBL2442685;DTXSID80491694;3-(3-Phenylisoxazol-5-yl)propanoic acid;Q27451538

Suppliers and Price of 3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid

Supply Marketing:

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

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Chemical Property of 3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:238

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NOC(=C2)CCC(=O)O

Technology Process of 3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid

There total 4 articles about 3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid 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: 96.0%

: 6089-09-4
4-pentynoic acid

: 698-16-8
benzohydroximoyl chloride

: 61656-43-7
3-(3-phenyl-isoxazol-5-yl)-propionic acid

Guidance literature:: With potassium carbonate; In water; at 20 ℃;
DOI:10.1039/d0ra06148d

Reference yield:

: 698-16-8
benzohydroximoyl chloride

: sodium 4-pentynoate

: 61656-43-7
3-(3-phenyl-isoxazol-5-yl)-propionic acid

Guidance literature:: With copper diacetate; potassium hydrogencarbonate; sodium L-ascorbate; In water; tert-butyl alcohol; at 20 ℃;
DOI:10.1016/j.bmc.2012.12.006

Reference yield:

: 932-90-1
Benzaldoxime

: 61656-43-7
3-(3-phenyl-isoxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N-chloro-succinimide / N,N-dimethyl-formamide / 1 h / 20 °C

2: copper diacetate; sodium L-ascorbate; potassium hydrogencarbonate / water; tert-butyl alcohol / 20 °C

With N-chloro-succinimide; copper diacetate; potassium hydrogencarbonate; sodium L-ascorbate; In water; N,N-dimethyl-formamide; tert-butyl alcohol;
DOI:10.1016/j.bmc.2012.12.006