2-(3-Phenylisoxazol-5-yl)ethanol

Base Information

• Chemical Name: 2-(3-Phenylisoxazol-5-yl)ethanol
• CAS No.: 14776-02-4
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20456161
• Nikkaji Number: J1.636.770B
• Wikidata: Q82278387
• Mol file: 14776-02-4.mol

Synonyms:2-(3-Phenylisoxazol-5-yl)ethanol;2-(3-phenyl-1,2-oxazol-5-yl)ethanol;3-Phenylisoxazole-5-ethanol;5-(2-Hydroxyethyl)-3-phenylisoxazole;5-(2-HYDROXYETHYL)-3-PHENYL-ISOXAZOLE;SCHEMBL23881749;DTXSID20456161;AKOS014313991;2-(3-phenyl-1,2-oxazol-5-yl)ethan-1-ol;FT-0690662;2-(3-Phenylisoxazol-5-yl)ethanol, AldrichCPR

Chemical Property of 2-(3-Phenylisoxazol-5-yl)ethanol

Chemical Property:

• Vapor Pressure: 3.7E-06mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 370.9°Cat760mmHg
• PKA: 13.41±0.20(Predicted)
• Flash Point: 178.1°C
• PSA: 46.26000
• Density: 1.169g/cm³
• LogP: 2.39490
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

5-(2-Hydroxyethyl)-3-PhenylIsoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Phenylisoxazol-5-yl)ethanol

There total 2 articles about 2-(3-Phenylisoxazol-5-yl)ethanol 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:

benzohydroximoyl chloride (698-16-8) + but-3-yn-2-ol (2028-63-9) → 1-(3-phenyl-isoxazol-5-yl)-ethanol (14776-02-4)

Guidance literature:

With sodium hydrogencarbonate; In ethyl acetate; at 20 ℃;

Reference yield:

→ 1-(3-phenyl-isoxazol-5-yl)-ethanol (14776-02-4)

Guidance literature:

Benzohydroxamoylchlorid, 1-Butin-3-ol;

Reference yield:

1-(3-phenyl-isoxazol-5-yl)-ethanol (14776-02-4) → 5-acetyl-3-phenylisoxazole (2048-69-3)

Guidance literature:

With sodium acetate; pyridinium chlorochromate; In dichloromethane; at 20 ℃;

upstream raw materials:

benzohydroximoyl chloride

but-3-yn-2-ol

Downstream raw materials:

5-acetyl-3-phenylisoxazole

2-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one

2-Bromo-1-(3-phenyl-isoxazol-5-yl)-ethanol

2-tert-Butylamino-1-(3-phenyl-isoxazol-5-yl)-ethanol