4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

Base Information

• Chemical Name: 4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
• CAS No.: 137090-44-9
• Molecular Formula: C12H12ClNO
• Molecular Weight: 221.686
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90408091
• Wikidata: Q82213459
• Mol file: 137090-44-9.mol

Synonyms:137090-44-9;4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole;4-(Chloromethyl)-5-methyl-2-(p-tolyl)oxazole;Oxazole, 4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-;4-Chloromethyl-5-methyl-2-p-tolyl-oxazole;SCHEMBL2330165;DTXSID90408091;DQTOUJFUSUPWOK-UHFFFAOYSA-N;CHEMBRDG-BB 4013762;MFCD08059927;AKOS000266446;4-chloromethyl-5-methyl-2-p-tolyloxazole;BS-35684;4-(chloromethyl)-5-methyl-2-p-tolyloxazole;BB 0242346;CS-0046833;EU-0029305;FT-0748241;4-chloromethyl-2-(4-methylphenyl)-5-methyl-l,3-oxazole;4-chloromethyl-2-(4-methylphenyl)-5-methyl-1,3-oxazole;4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole, AldrichCPR

Chemical Property of 4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

Chemical Property:

• Vapor Pressure: 8.8E-05mmHg at 25°C
• Boiling Point: 350.6oC at 760 mmHg
• PKA: 0.15±0.26(Predicted)
• Flash Point: 165.8oC
• PSA: 26.03000
• Density: 1.16g/cm3
• LogP: 3.69720
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.0607417
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCl

Technology Process of 4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

There total 4 articles about 4-(Chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole 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: 98.0%

4,5-dimethyl-2-(p-tolyl)oxazole 3-oxide → [5-Methyl-2-(4-methylphenyl)-4-oxazolyl]methyl Chloride (137090-44-9)

Guidance literature:

With trichlorophosphate; In toluene; at 70 ℃; for 3.5h;

Reference yield: 91.0%

4,5-Dimethyl-2-(4-methylphenyl)oxazole N-Oxide Hydrochloride → [5-Methyl-2-(4-methylphenyl)-4-oxazolyl]methyl Chloride (137090-44-9)

Guidance literature:

With methanesulfonyl chloride; In dichloromethane;

Reference yield:

4-methyl-benzaldehyde (104-87-0) → [5-Methyl-2-(4-methylphenyl)-4-oxazolyl]methyl Chloride (137090-44-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / acetic acid; 1,4-dioxane / 16 h / 0 - 20 °C

2: trichlorophosphate / 1,2-dichloro-ethane / 0.5 h / Reflux

With hydrogenchloride; trichlorophosphate; In 1,4-dioxane; acetic acid; 1,2-dichloro-ethane;

DOI:10.1021/acs.jmedchem.7b00561

upstream raw materials:

4-methyl-benzaldehyde

Downstream raw materials:

5-bromo-2-<3-(2-(4-methylphenyl)-5-methyl-4-oxazolyl)propionyl>thiophene

4-[3-(5-Methyl-2-p-tolyl-oxazol-4-yl)-propionyl]-benzaldehyde

glycine, N-[(4-fluoro-3-methylphenoxy)carbonyl]-N-[(1S)-1-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)methoxy]phenyl]ethyl]methyl ester

4-iodomethyl-2-(4-methylphenyl)-5-methyloxazole