beta-Methyl-2-phenyl-6-benzoxazoleethanol

Base Information

• Chemical Name: beta-Methyl-2-phenyl-6-benzoxazoleethanol
• CAS No.: 51234-54-9
• Molecular Formula: C16H15NO2
• Molecular Weight: 253.2958
• DSSTox Substance ID: DTXSID10965510
• Nikkaji Number: J67.911I
• ChEMBL ID: CHEMBL3246580
• Mol file: 51234-54-9.mol

Synonyms:beta-Methyl-2-phenyl-6-benzoxazoleethanol;BRN 1126873;51234-54-9;6-BENZOXAZOLEETHANOL, beta-METHYL-2-PHENYL-;2-(2-phenyl-1,3-benzoxazol-6-yl)propan-1-ol;CHEMBL3246580;DTXSID10965510;SQNDMDKKUAMDFF-UHFFFAOYSA-N;2-(2-phenyl-6-benzoxazolyl)-propanol;LS-42186;6-Benzoxazoleethanol, .beta.-methyl-2-phenyl-

Chemical Property of beta-Methyl-2-phenyl-6-benzoxazoleethanol

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 385.9°Cat760mmHg
• Flash Point: 187.2°C
• PSA: 46.26000
• Density: 1.192g/cm³
• LogP: 3.59060
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

BETA-METHYL-2-PHENYL-6-BENZOXAZOLEETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CO)C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3

Technology Process of beta-Methyl-2-phenyl-6-benzoxazoleethanol

There total 8 articles about beta-Methyl-2-phenyl-6-benzoxazoleethanol 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:

2-(2-phenyl-benzooxazol-6-yl)-propionic acid ethyl ester (51234-53-8) → 2-(2-phenyl-benzooxazol-6-yl)-propan-1-ol (51234-54-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Ambient temperature;

DOI:10.1021/jm00216a011

Reference yield:

(2-phenyl-benzooxazol-6-yl)-acetonitrile (62143-68-4) → 2-(2-phenyl-benzooxazol-6-yl)-propan-1-ol (51234-54-9)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. H₂SO₄ / 1.5 h / Heating

2: TsOH / benzene / 24 h / Heating

3: (i) NaNH₂, liq. NH₃, Et₂O, (ii) /BRN= 969135/

4: LiAlH₄ / diethyl ether / Ambient temperature

With lithium aluminium tetrahydride; sulfuric acid; toluene-4-sulfonic acid; In diethyl ether; benzene;

DOI:10.1021/jm00216a011

Reference yield:

2-phenyl-6-benzoxazolylacetic acid (62143-69-5) → 2-(2-phenyl-benzooxazol-6-yl)-propan-1-ol (51234-54-9)

Guidance literature:

Multi-step reaction with 3 steps

1: TsOH / benzene / 24 h / Heating

2: (i) NaNH₂, liq. NH₃, Et₂O, (ii) /BRN= 969135/

3: LiAlH₄ / diethyl ether / Ambient temperature

With lithium aluminium tetrahydride; toluene-4-sulfonic acid; In diethyl ether; benzene;

DOI:10.1021/jm00216a011

upstream raw materials:

2-(2-phenyl-benzooxazol-6-yl)-propionic acid ethyl ester

(2-phenyl-benzooxazol-6-yl)-acetonitrile

2-phenyl-6-benzoxazolylacetic acid

(2-phenyl-benzooxazol-6-yl)-acetic acid ethyl ester

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