5-(Chloromethyl)-2,4-dimethyloxazole

Base Information

• Chemical Name: 5-(Chloromethyl)-2,4-dimethyloxazole
• CAS No.: 885061-06-3
• Molecular Formula: C₆H₈ClNO
• Molecular Weight: 145.589
• Hs Code.: 2934999090
• European Community (EC) Number: 832-159-4
• DSSTox Substance ID: DTXSID30468639
• Nikkaji Number: J2.306.265H
• Wikidata: Q82295948
• Mol file: 885061-06-3.mol

Synonyms:5-(CHLOROMETHYL)-2,4-DIMETHYLOXAZOLE;885061-06-3;5-(chloromethyl)-2,4-dimethyl-1,3-oxazole;SCHEMBL7996431;DTXSID30468639;MFCD10699444;AKOS006303435;CS-0237302;FT-0727550;EN300-181876

Chemical Property of 5-(Chloromethyl)-2,4-dimethyloxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.03020
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.0294416
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98%min ^*data from raw suppliers

5-(Chloromethyl)-2,4-dimethyloxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=N1)C)CCl

Technology Process of 5-(Chloromethyl)-2,4-dimethyloxazole

There total 2 articles about 5-(Chloromethyl)-2,4-dimethyloxazole 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: 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:

2,4-dimethyloxazole-5-ylcarboxylate ethyl ester (23012-30-8) → 5-chloromethyl-2,4-dimethyloxazole (885061-06-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / lithium aluminum hydride / diethyl ether / -10 °C

2: 54.6 percent / triphenyl phosphine / CCl₄ / 2 h / Heating

With lithium aluminium tetrahydride; triphenylphosphine; In tetrachloromethane; diethyl ether;

DOI:10.1002/jhet.5570430227

Reference yield:

5-chloromethyl-2,4-dimethyloxazole (885061-06-3) → 2,4-dimethyl-5-(4-morpholinomethyl)oxazole methyiodide

Guidance literature:

Multi-step reaction with 2 steps

1: 36.6 percent / sodium carbonate / benzene / Heating

2: 50.7 percent / acetonitrile / 20 °C

With sodium carbonate; In acetonitrile; benzene;

DOI:10.1002/jhet.5570430227

upstream raw materials:

5-hydroxymethyl-2,4-dimethyloxazole

2,4-dimethyloxazole-5-ylcarboxylate ethyl ester