4-Chloromethyl-2-phenyl-oxazole

Base Information

• Chemical Name: 4-Chloromethyl-2-phenyl-oxazole
• CAS No.: 30494-97-4
• Molecular Formula: C10H8ClNO
• Molecular Weight: 193.633
• Hs Code.: 2934999090
• European Community (EC) Number: 826-816-4
• DSSTox Substance ID: DTXSID20393562
• Nikkaji Number: J1.387.812I
• Wikidata: Q72454602
• Mol file: 30494-97-4.mol

Synonyms:30494-97-4;4-chloromethyl-2-phenyl-oxazole;4-(chloromethyl)-2-phenyloxazole;4-(chloromethyl)-2-phenyl-1,3-oxazole;4-chloromethyl-2-phenyloxazole;Oxazole, 4-(chloromethyl)-2-phenyl-;MFCD06655140;4-(chloromethyl)-2-phenyl-oxazole;2-phenyl-4-Chloromethyloxazole;SCHEMBL1436020;2-phenyl-4-chloro-methyloxazole;AMY2380;DTXSID20393562;2-Phenyl-4-(chloromethyl)oxazole;ANSKJZIDWXDAJW-UHFFFAOYSA-N;STL451590;AKOS000117190;AC-7572;BS-13759;CS-0072847;FT-0638925;EN300-10767;F51049;A820406;Z56347590;F2145-0257

Chemical Property of 4-Chloromethyl-2-phenyl-oxazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 55-57 °C
• Refractive Index: 1.557
• Boiling Point: 322.633 °C at 760 mmHg
• PKA: -0.77±0.12(Predicted)
• Flash Point: 148.923 °C
• PSA: 26.03000
• Density: 1.222 g/cm³
• LogP: 3.08040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.4
• 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:

97% ^*data from raw suppliers

4-(Chloromethyl)-2-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=NC(=CO2)CCl
• Uses: 4-(Chloromethyl)-2-phenyl-1,3-oxazole can be used as a potential fungicidal agents.

Technology Process of 4-Chloromethyl-2-phenyl-oxazole

There total 10 articles about 4-Chloromethyl-2-phenyl-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: 90.0%

benzamide (55-21-0,27208-38-4) + 1,3-Dichloroacetone (534-07-6) → 4-chloromethyl-2-phenyl-oxazole (30494-97-4)

Guidance literature:

In neat (no solvent); at 130 ℃; for 4h;

DOI:10.1515/hc-2020-0117

Reference yield: 84.0%

→ 4-chloromethyl-2-phenyl-oxazole (30494-97-4)

Guidance literature:

Reference yield:

(2-phenyl-1,3-oxazol-4-yl)methanol (59398-98-0) → 4-chloromethyl-2-phenyl-oxazole (30494-97-4)

Guidance literature:

With thionyl chloride;

DOI:10.1039/jr9610000405

upstream raw materials:

(2-phenyl-1,3-oxazol-4-yl)methanol

benzamide

1,3-Dichloroacetone

2-phenyl-1,3-oxazole-4-carbonyl chloride

Downstream raw materials:

5-bromo-4-chloromethyl-2-phenyl-oxazole

2-phenyl-1,3-oxazole-4-carbaldehyde

5-[4-(2-phenyl-4-oxazolylmethoxy)benzyl]-2,4-thiazolidinedione

Triphenyl-(2-phenyl-oxazol-4-ylmethyl)-phosphonium; chloride