2-(3-Phenyl-5-isoxazolyl)phenol

Base Information

• Chemical Name: 2-(3-Phenyl-5-isoxazolyl)phenol
• CAS No.: 67139-38-2
• Molecular Formula: C15H11NO2
• Molecular Weight: 237.258
• DSSTox Substance ID: DTXSID60425295
• Wikidata: Q82238111
• ChEMBL ID: CHEMBL1325869
• Mol file: 67139-38-2.mol

Synonyms:2-(3-phenyl-5-isoxazolyl)phenol;67139-38-2;2-(3-Phenylisoxazol-5-yl)phenol;MLS000570866;2-(3-PHENYL-1,2-OXAZOL-5-YL)PHENOL;SMR000187290;Cambridge id 5810970;CHEMBL1325869;SCHEMBL13696743;BDBM49532;cid_5343445;DTXSID60425295;cid_21787845;HMS2278L16;(6Z)-6-(3-phenyl-2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one;MFCD01820980;5-(o-hydroxyphenyl)-3-phenylisoxazole;AKOS022184459;CS-0454764;SR-01000221043;SR-01000221043-1;(6E)-6-(3-phenyl-3-isoxazolin-5-ylidene)cyclohexa-2,4-dien-1-one;(6Z)-6-(3-phenyl-2H-isoxazol-5-ylidene)-1-cyclohexa-2,4-dienone;(6Z)-6-(3-phenyl-3-isoxazolin-5-ylidene)cyclohexa-2,4-dien-1-one

Chemical Property of 2-(3-Phenyl-5-isoxazolyl)phenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3O

Technology Process of 2-(3-Phenyl-5-isoxazolyl)phenol

There total 16 articles about 2-(3-Phenyl-5-isoxazolyl)phenol 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: 92.0%

FLAVONE (525-82-6,66585-04-4) → 3-Phenyl-5-(2-hydroxyphenyl)isoxazole (67139-38-2)

Guidance literature:

With hydroxylamine hydrochloride; β‐cyclodextrin; In ethanol; water; at 80 ℃; for 0.533333h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Sonication; Green chemistry;

DOI:10.2174/1570178614666161230124807

Reference yield: 82.9%

2'-hydroxychalcone dibromides (39729-11-8) → FLAVONE (525-82-6,66585-04-4) + 3-Phenyl-5-(2-hydroxyphenyl)isoxazole (67139-38-2) + (Z)-α-azido-2'-hydroxychalcone (70188-21-5) + aurone (37542-14-6)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; for 5h; Mechanism; Ambient temperature; reactions of other 2-hydroxychalchone derivatives were also investigated;

DOI:10.1016/S0040-4020(01)83509-2

Reference yield: 79.0%

(E)-2'-hydroxy-chalcone (888-12-0) → 3-Phenyl-5-(2-hydroxyphenyl)isoxazole (67139-38-2)

Guidance literature:

With hydroxylamine hydrochloride; In methanol; for 2h; Reflux;

DOI:10.1134/S1070363219070235

upstream raw materials:

1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione

FLAVONE

(2RS,3SR)-2,3-dibromo-1-(2-hydroxy-phenyl)-3-phenyl-propan-1-one

(2RS,3SR)-1-(2-acetoxy-phenyl)-2,3-dibromo-3-phenyl-propan-1-one