3-(4,5-Dihydro-1,3-oxazol-2-yl)phenol

Base Information

• Chemical Name: 3-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
• CAS No.: 90141-21-2
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID80601514
• Nikkaji Number: J2.270.113D
• Wikidata: Q82498225
• Mol file: 90141-21-2.mol

Synonyms:3-(4,5-dihydro-1,3-oxazol-2-yl)phenol;90141-21-2;SCHEMBL4751753;DTXSID80601514;3-(4,5-dihydrooxazol-2-yl)phenol

Chemical Property of 3-(4,5-Dihydro-1,3-oxazol-2-yl)phenol

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC(=CC=C2)O

Technology Process of 3-(4,5-Dihydro-1,3-oxazol-2-yl)phenol

There total 4 articles about 3-(4,5-Dihydro-1,3-oxazol-2-yl)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: 29.0%

ethanolamine (141-43-5) + 3-Carboxyphenol (99-06-9) → 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (90141-21-2)

Guidance literature:

ethanolamine; 3-Carboxyphenol; With pyridine; triethylamine; In acetonitrile; at 22 ℃; for 0.666667h; Inert atmosphere;

With tetrachloromethane; triphenylphosphine; In acetonitrile; at 22 - 24 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.ejmech.2009.05.012

Reference yield:

N-(2-hydroxyethyl)-3-hydroxybenzamide (15788-99-5) → 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (90141-21-2)

Guidance literature:

With thionyl chloride; sodium hydrogencarbonate;

DOI:10.1107/S0108270105027812

Reference yield:

methyl 3-hydroxybenzoate (19438-10-9) → 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (90141-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 139.85 °C

2: thionyl chloride; NaHCO₃

With thionyl chloride; sodium hydrogencarbonate;

DOI:10.1107/S0108270105027812

upstream raw materials:

N-(2-hydroxyethyl)-3-hydroxybenzamide

methyl 3-hydroxybenzoate

ethanolamine

3-Carboxyphenol

Downstream raw materials:

[¹⁸F]-3-(4,5-dihydrooxazol-2-yl)phenyl (5-fluoropentyl)carbamate

3-(4,5-dihydrooxazol-2-yl)phenyl (5-fluoropentyl)carbamate

C₂₀H₁₇NO₅

C₁₅⁽¹¹⁾CH₂₂N₂O₃