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

Base Information

• Chemical Name: 2-(Chloromethyl)-5-phenyl-1,3-oxazole
• CAS No.: 64640-13-7
• Molecular Formula: C10H8ClNO
• Molecular Weight: 193.633
• Hs Code.: 2934999090
• European Community (EC) Number: 842-753-5
• DSSTox Substance ID: DTXSID70367995
• Wikidata: Q82154254
• Mol file: 64640-13-7.mol

Synonyms:2-(chloromethyl)-5-phenyl-1,3-oxazole;64640-13-7;2-(chloromethyl)-5-phenyloxazole;2-Chloromethyl-5-phenyloxazole;Oxazole, 2-(chloromethyl)-5-phenyl-;2-choromethyl-5-phenyloxazole;SCHEMBL4160149;DTXSID70367995;UCLTZKFBJAFGCD-UHFFFAOYSA-N;MFCD00466333;STL191119;AKOS000122449;BS-13734;EN300-07059;D85526;Z57046996;F2124-0726

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

Chemical Property:

• Vapor Pressure: 0.00211mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 299.5 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 26.03000
• Density: 1.222 g/cm³
• LogP: 3.08040
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.0294416
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%Min ^*data from raw suppliers

2-(chloromethyl)-5-phenyl-1,3-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 10 articles about 2-(Chloromethyl)-5-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: 84.0%

2-diazo-acetophenone (3282-32-4) + chloroacetonitrile (107-14-2) → 2-Chloromethyl-5-phenyloxazole (64640-13-7)

Guidance literature:

boron trifluoride diethyl etherate; at 5 ℃;

DOI:10.1246/bcsj.62.618

Reference yield: 81.0%

N-(2-oxo-2-phenylethyl)chloroacetamide (65385-18-4) → 2-Chloromethyl-5-phenyloxazole (64640-13-7)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 5h; Reflux;

DOI:10.1016/j.bmc.2021.116133

Reference yield: 66.5%

→ 2-Chloromethyl-5-phenyloxazole (64640-13-7)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 80 ℃; for 12h;

upstream raw materials:

N-(2-oxo-2-phenylethyl)chloroacetamide

3-chloroacetyl-5-phenyl-3H-oxazol-2-one

β-azidostyrene

chloroacetic acid

Downstream raw materials:

2-(iodomethyl)-5-phenyloxazole

[4-Oxo-3-(5-phenyl-oxazol-2-ylmethyl)-3,4-dihydro-phthalazin-1-yl]-acetic acid