Oxazol-2-yl-phenylmethanol

Base Information

• Chemical Name: Oxazol-2-yl-phenylmethanol
• CAS No.: 130552-00-0
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Hs Code.: 2934999090
• European Community (EC) Number: 621-089-8
• DSSTox Substance ID: DTXSID60445650
• Nikkaji Number: J363.488D
• Mol file: 130552-00-0.mol

Synonyms:Oxazol-2-yl-phenylmethanol;130552-00-0;1,3-oxazol-2-yl(phenyl)methanol;Oxazol-2-yl(phenyl)methanol;A-PHENYL-2-OXAZOLEMETHANOL 97;2-Oxazolemethanol,a-phenyl-;SCHEMBL474256;alpha-Phenyloxazole-2-methanol;DTXSID60445650;Oxazol-2-yl-phenylmethanol, 97%;(1,3-oxazol-2-yl)(phenyl)methanol;AKOS015912399;FT-0706571;J-005827

Chemical Property of Oxazol-2-yl-phenylmethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 88-92 °C(lit.)
• Refractive Index: 1.578
• Boiling Point: 309.124 °C at 760 mmHg
• Flash Point: 140.754 °C
• PSA: 46.26000
• Density: 1.224g/cm³
• LogP: 1.75630
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

98%Min ^*data from raw suppliers

Oxazol-2-yl-phenylmethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=NC=CO2)O

Technology Process of Oxazol-2-yl-phenylmethanol

There total 2 articles about Oxazol-2-yl-phenylmethanol 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: 20.0%

2-oxazolyl lithium (154093-80-8) + benzaldehyde (100-52-7) → oxazol-2-yl(phenyl)methanol (130552-00-0) + 1-(4-oxazolyl)-1-phenylmethanol (130551-98-3) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

Ambient temperature;

DOI:10.1021/jo00001a087

Reference yield:

oxazol (288-42-6) + benzaldehyde (100-52-7) → oxazol-2-yl(phenyl)methanol (130552-00-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo960813z

Reference yield:

oxazol-2-yl(phenyl)methanol (130552-00-0) → 2-(chloro(phenyl)methyl)oxazole (1163126-45-1)

Guidance literature:

With thionyl chloride; In toluene; at 20 - 110 ℃; for 1.5h;

upstream raw materials:

2-oxazolyl lithium

benzaldehyde

oxazol

Downstream raw materials:

2-(chloro(phenyl)methyl)oxazole

Refernces

• 1、 Hodges, John C.,Patt, William C.,Connolly, Cleo J.. "Reactions of Lithiooxazole". . p. 449 - 452. Retrieved 2007/10/02.