Oxazol-5-ylmethanol

Base Information

• Chemical Name: Oxazol-5-ylmethanol
• CAS No.: 127232-41-1
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.0892
• Hs Code.: 2934999090
• European Community (EC) Number: 689-325-2
• DSSTox Substance ID: DTXSID70595998
• Nikkaji Number: J2.266.945A
• Wikidata: Q72498281
• Mol file: 127232-41-1.mol

Synonyms:Oxazol-5-ylmethanol;127232-41-1;OXAZOLE-5-METHANOL;1,3-Oxazol-5-ylmethanol;5-OXAZOLEMETHANOL;5-(Hydroxymethyl)oxazole;Oxazol-5-yl-methanol;5-(Hydroxymethyl)-1,3-oxazole;(1,3-Oxazol-5-yl)methanol;MFCD09027272;5-oxazolylmethanol;5-hydroxymethyloxazole;oxazole-5-methanol, AldrichCPR;1,3-OXAZOL-5-METHANOL;DTXSID70595998;CRPXMLXYMBLZEP-UHFFFAOYSA-N;BCP16363;AKOS006345692;AM86088;CS-W003570;PB32681;PS-9332;SY025391;DB-003534;EN300-135093;A805664;J-516353;F9994-5422

Chemical Property of Oxazol-5-ylmethanol

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 212.785 °C at 760 mmHg
• PKA: 13.41±0.10(Predicted)
• Flash Point: 82.49 °C
• PSA: 46.26000
• Density: 1.25 g/cm³
• LogP: 0.16690
• Storage Temp.: Sealed in dry,Store in freezer, under -20°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:

99% ^*data from raw suppliers

Oxazol-5-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC=N1)CO

Technology Process of Oxazol-5-ylmethanol

There total 6 articles about Oxazol-5-ylmethanol 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: 86.0%

oxazol-5-yl-carboxylic acid ethyl ester (118994-89-1) → 1,3-oxazol-5-ylmethanol (127232-41-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2018.04.062

Reference yield: 64.0%

oxazole-5-carbaldehyde (118994-86-8) → 1,3-oxazol-5-ylmethanol (127232-41-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.0833333h;

DOI:10.1021/jm970636+

Reference yield:

{2-[triisopropylsilyl]-1,3-oxazol-5-yl}methanol (916810-54-3) → 1,3-oxazol-5-ylmethanol (127232-41-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

oxazole-5-carbaldehyde

methyl oxazole-5-carboxylate

oxazol-5-yl-carboxylic acid ethyl ester

dichloromethane

Downstream raw materials:

5-(bromomethyl)-1,3-oxazole

carbonic acid 4-nitro-phenyl ester oxazol-5-ylmethyl ester

N-((4-chlorophenyl)(phenyl)methyl)-2-(4-(oxazol-5-ylmethoxy)phenyl)acetamide

5-({[(tert-butyl)(diphenyl)silyl]oxy}methyl)-1,3-oxazole

Refernces

• 1、 -. "AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS". Paragraph 0747. . Retrieved 2019/07/13.
• 2、 -. "As tyrosine kinase inhibitors substituted indolinone derivatives". Paragraph 0323-0325. . Retrieved 2016/10/24.