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

Base Information

• Chemical Name: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
• CAS No.: 103788-61-0
• Molecular Formula: C11H10ClNO
• Molecular Weight: 207.659
• Hs Code.: 2934999090
• European Community (EC) Number: 825-524-4
• DSSTox Substance ID: DTXSID70430779
• Nikkaji Number: J1.981.227H
• Wikidata: Q72454241
• ChEMBL ID: CHEMBL5173270
• Mol file: 103788-61-0.mol

Synonyms:4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole;103788-61-0;4-(chloromethyl)-5-methyl-2-phenyloxazole;4-chloromethyl-5-methyl-2-phenyl-oxazole;4-chloromethyl-5-methyl-2-phenyloxazole;2-phenyl-4-(chloromethyl)-5-methyloxazole;Oxazole,4-(chloromethyl)-5-methyl-2-phenyl-;Chloromethyl-5-methyl-2-phenyloxazole;7-PHENYLHEPTANOICACID;SCHEMBL503999;CHEMBL5173270;DTXSID70430779;VCTKYTBWZTZPHF-UHFFFAOYSA-N;MFCD00800940;AKOS001289751;BS-9833;5-methyl-2-phenyl-4-Chloromethyloxazole;4-chloromethyl-2-phenyl-5-methyl-oxazole;BP-13109;BB 0242408;FT-0713364;5-methyl-2-phenyl-4-oxazolyl methyl chloride;EN300-26432;4-chloromethyl-5-methyl-2-phenyl-1,3-oxazole;A21736;D78759;W-204509;Z223030806

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.552
• Boiling Point: 340.022 °C at 760 mmHg
• PKA: -0.12±0.26(Predicted)
• Flash Point: 159.44 °C
• PSA: 26.03000
• Density: 1.189 g/cm³
• LogP: 3.38880
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.0450916
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

4-Chloromethyl-5-methyl-2-phenyl-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: R34:
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCl
• Uses: 4-Chloromethyl-5-methyl-2-phenyl-oxazole can be used for anti-tubercular activity.

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

There total 10 articles about 4-(Chloromethyl)-5-methyl-2-phenyl-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: 99.0%

4,5-dimethyl-2-phenyl-oxazole 3-oxide (27492-46-2) → (5-methyl-2-phenyl-4-oxazolyl)methyl chloride (103788-61-0)

Guidance literature:

With trichlorophosphate; In chloroform; Heating;

DOI:10.1016/j.bmcl.2006.11.050

Reference yield: 95.0%

4-chloromethyl-5-methyl-2-phenyl-oxazole 3-oxide → (5-methyl-2-phenyl-4-oxazolyl)methyl chloride (103788-61-0)

Guidance literature:

With trichlorophosphate; In dichloromethane; at 5 - 40 ℃; for 3.75h;

Reference yield: 86.0%

4,5-dimethyl-2-phenyloxazole 3-oxide hydrochloride → (5-methyl-2-phenyl-4-oxazolyl)methyl chloride (103788-61-0)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 22 - 28 ℃; for 16h;

DOI:10.1002/adsc.200404135

upstream raw materials:

4,5-dimethyl-2-phenyl-oxazole 3-oxide

4,5-dimethyl-2-phenyl-oxazole

benzaldehyde

Downstream raw materials:

[3-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-phenyl]-acetic acid methyl ester

C₁₈H₁₆BrNO₃

4-methoxy-3-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzaldehyde

ethyl 2-[4-({(2-tert-butoxy-2-oxoethyl)[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino}methyl)-2,6-dimethylphenoxy]-2-methylpropanoate