(2,4-Dimethyl-1,3-oxazol-5-yl)methanol

Base Information

• Chemical Name: (2,4-Dimethyl-1,3-oxazol-5-yl)methanol
• CAS No.: 214553-55-6
• Molecular Formula: C₆H₉NO₂
• Molecular Weight: 127.143
• Hs Code.: 2934999090
• European Community (EC) Number: 830-402-9
• DSSTox Substance ID: DTXSID80441639
• Wikidata: Q82258496
• Mol file: 214553-55-6.mol

Synonyms:(2,4-dimethyl-1,3-oxazol-5-yl)methanol;214553-55-6;(2,4-dimethyloxazol-5-yl)methanol;(dimethyl-1,3-oxazol-5-yl)methanol;2,4-DIMETHYL-5-HYDROXYMETHYLOXAZOLE;5-OXAZOLEMETHANOL, 2,4-DIMETHYL-;SCHEMBL5013623;DTXSID80441639;BFWHIILNKOBBPE-UHFFFAOYSA-N;MFCD10699443;2,4-dimethyl-5-hydroxymethyl-oxazole;AKOS005173640;MB08849;AS-32857;CS-0308097;FT-0683591;EN300-107530;(2,4-Dimethyl-1,3-oxazol-5-yl)methanol, AldrichCPR

Chemical Property of (2,4-Dimethyl-1,3-oxazol-5-yl)methanol

Chemical Property:

• Boiling Point: 232.2±25.0 °C(Predicted)
• PKA: 13.46±0.10(Predicted)
• PSA: 46.26000
• Density: 1.137±0.06 g/cm3(Predicted)
• LogP: 0.78370
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

(2,4-dimethyl-1,3-oxazol-5-yl)methanol ^*data from reagent suppliers

Safty Information:

• Statements: 52/53

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=N1)C)CO

Technology Process of (2,4-Dimethyl-1,3-oxazol-5-yl)methanol

There total 1 articles about (2,4-Dimethyl-1,3-oxazol-5-yl)methanol 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: 80.0%

2,4-dimethyloxazole-5-ylcarboxylate ethyl ester (23012-30-8) → 5-hydroxymethyl-2,4-dimethyloxazole (214553-55-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -100 ℃; for 2.5h;

DOI:10.1002/jhet.5570350413

Reference yield: 54.6%

5-hydroxymethyl-2,4-dimethyloxazole (214553-55-6) → 5-chloromethyl-2,4-dimethyloxazole (885061-06-3)

Guidance literature:

With triphenylphosphine; In tetrachloromethane; for 2h; Heating;

DOI:10.1002/jhet.5570430227 DOI:10.1002/jhet.5570440644

Reference yield: 49.0%

5-hydroxymethyl-2,4-dimethyloxazole (214553-55-6) → 2,4-dimethyloxazole-5-carbaldehyde (69062-86-8)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -5 ℃; for 0.25h;

DOI:10.1002/jhet.5570350413

upstream raw materials:

2,4-dimethyloxazole-5-ylcarboxylate ethyl ester

Downstream raw materials:

2,4-dimethyloxazole-5-carbaldehyde

5-chloromethyl-2,4-dimethyloxazole