4-Oxazolemethanol

Base Information

• Chemical Name: 4-Oxazolemethanol
• CAS No.: 155742-48-6
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.0892
• Hs Code.: 2934999090
• European Community (EC) Number: 640-626-7
• DSSTox Substance ID: DTXSID90579735
• Wikidata: Q72498283
• Mol file: 155742-48-6.mol

Synonyms:4-OXAZOLEMETHANOL;155742-48-6;Oxazol-4-ylmethanol;1,3-oxazol-4-ylmethanol;4-(Hydroxymethyl)oxazole;(1,3-Oxazol-4-yl)methanol;oxazol-4-yl-methanol;4-(Hydroxymethyl)-1,3-oxazole;MFCD08703646;(oxazol-4-yl)methanol;DTXSID90579735;BKHIXCNJVHVHAG-UHFFFAOYSA-N;AKOS015917607;PB29559;PS-9333;SY012558;AM20080403;CS-0037571;oxazol-4-ylmethanol;EN300-179612;A809675;F1905-0277

Chemical Property of 4-Oxazolemethanol

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 212.785 °C at 760 mmHg
• PKA: 13.11±0.10(Predicted)
• Flash Point: 82.49 °C
• PSA: 46.26000
• Density: 1.25 g/cm³
• LogP: 0.16690
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 99.032028402
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

4-Oxazolemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CO1)CO

Technology Process of 4-Oxazolemethanol

There total 4 articles about 4-Oxazolemethanol 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: 95.0%

oxazole-4-carboxylic acid ethyl ester (23012-14-8) → 4-hydroxymethyl-1,3-oxazole (155742-48-6)

Guidance literature:

With methanol; lithium borohydride; at 0 - 25 ℃; for 2h; Inert atmosphere;

Reference yield: 38.0%

ethyl 2-chloro-1,3-oxazole-4-carboxylate (460081-18-9) → 4-hydroxymethyl-1,3-oxazole (155742-48-6) + 4-hydroxymethyl-2-chlorooxazole (706789-06-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃;

DOI:10.1016/j.tetlet.2004.03.083

Reference yield:

methyl 4.-oxazolecarboxylate (170487-38-4) → 4-hydroxymethyl-1,3-oxazole (155742-48-6)

Guidance literature:

With diisobutylaluminium hydride; In diethyl ether; at -78 - 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

1,3-oxazole-4-carboxaldehyde

oxazole-4-carboxylic acid ethyl ester

ethyl 2-chloro-1,3-oxazole-4-carboxylate

methyl 4.-oxazolecarboxylate

Downstream raw materials:

4-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-1,3-oxazole

1,3-oxazole-4-carboxaldehyde

4-(bromomethyl)-1,3-oxazole