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

Base Information

• Chemical Name: 4-(Chloromethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole
• CAS No.: 755030-85-4
• Molecular Formula: C12H12ClNO2
• Molecular Weight: 237.68200
• DSSTox Substance ID: DTXSID40470748
• Wikidata: Q82298910
• Mol file: 755030-85-4.mol

Synonyms:755030-85-4;4-(chloromethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole;4-(Chloromethyl)-2-(3-methoxyphenyl)-5-methyloxazole;SCHEMBL2329392;DTXSID40470748;VWFGBAZRKXYFCO-UHFFFAOYSA-N;MFCD09835601;AKOS015921146;BS-36301;CS-0455526;4-chloromethyl-2-(3-methoxyphenyl)-5-methyloxazole

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 384.972oC at 760 mmHg
• Flash Point: 186.624oC
• PSA: 35.26000
• Density: 1.196g/cm3
• LogP: 3.39740
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 237.0556563
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

4-(chloromethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC(=CC=C2)OC)CCl

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

There total 1 articles about 4-(Chloromethyl)-2-(3-methoxyphenyl)-5-methyl-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: 92.0%

4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole hydrochloride → 4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole (755030-85-4)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; pH=12;

Reference yield:

4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole (755030-85-4) + cis-3R-(O-tetrahydropyranyl)cyclohexan-1S-ol (877880-11-0) → cis-1S-(2-(3-methoxyphenyl)-5-methyl-oxazol-4-ylmethoxy)-3R-O-tetrahydropyranylcyclohexane (877880-13-2)

Guidance literature:

cis-3R-(O-tetrahydropyranyl)cyclohexan-1S-ol; With potassium tert-butylate; In toluene; at 55 ℃; for 0.5h;

4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole; In toluene; at 55 ℃; for 1.75h;

Reference yield:

4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole (755030-85-4) → 5-methyl-2-(3-methoxyphenyl)oxazol-4-ylmethyl iodide (501362-93-2)

Guidance literature:

With sodium iodide; In tetrahydrofuran;

Downstream raw materials:

5-methyl-2-(3-methoxyphenyl)oxazol-4-ylmethyl iodide

cis-1S-(2-(3-methoxyphenyl)-5-methyl-oxazol-4-ylmethoxy)-3R-O-tetrahydropyranylcyclohexane

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