2-Cyclohexyl-5-phenyloxazole

Base Information

• Chemical Name: 2-Cyclohexyl-5-phenyloxazole
• CAS No.: 18860-06-5
• Molecular Formula: C15H17NO
• Molecular Weight: 227.306
• Hs Code.: 2934999090
• European Community (EC) Number: 242-632-1
• NSC Number: 90303
• DSSTox Substance ID: DTXSID00172236
• Nikkaji Number: J224.794A
• Wikidata: Q83042353
• ChEMBL ID: CHEMBL1704704
• Mol file: 18860-06-5.mol

Synonyms:2-Cyclohexyl-5-phenyloxazole;18860-06-5;2-cyclohexyl-5-phenyl-1,3-oxazole;MLS002694972;EINECS 242-632-1;NSC90303;2-Cyclohexyl-5-phenyloxazol;CHEMBL1704704;DTXSID00172236;HMS3079C21;NSC 90303;NSC-90303;SMR001560885;A926569

Chemical Property of 2-Cyclohexyl-5-phenyloxazole

Chemical Property:

• Vapor Pressure: 3.5E-05mmHg at 25°C
• Boiling Point: 364.6°Cat760mmHg
• PKA: 1.29±0.10(Predicted)
• Flash Point: 151.6°C
• PSA: 26.03000
• Density: 1.072g/cm³
• LogP: 4.38930
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.131014166
• Heavy Atom Count: 17
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

2-Cyclohexyl-5-phenyloxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NC=C(O2)C3=CC=CC=C3
• Uses: 2-?Cyclohexyl-?5-?phenyloxazole is a reagent used in the synthesis of 2,5-disubstituted oxazoles.

Technology Process of 2-Cyclohexyl-5-phenyloxazole

There total 11 articles about 2-Cyclohexyl-5-phenyloxazole 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: 81.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + (azidomethyl)cyclohexane (81917-06-8) → 2-cyclohexyl-5-phenyloxazole (18860-06-5)

Guidance literature:

With oxygen; copper(l) chloride; In toluene; at 80 ℃; for 8h;

DOI:10.1039/c5cc06487b

Reference yield: 71.0%

5-phenyloxazole (1006-68-4) + N'-cyclohexylidene-4-methylbenzene-1-sulfonohydrazide (4545-18-0) → 2-cyclohexyl-5-phenyloxazole (18860-06-5)

Guidance literature:

With 1,10-Phenanthroline; cobalt(II) bromide; lithium tert-butoxide; In 1,4-dioxane; at 120 ℃; for 7h; Inert atmosphere;

DOI:10.1002/anie.201106825

Reference yield: 54.0%

cyclohexane carboxylic acid (E)-styryl amide → 2-cyclohexyl-5-phenyloxazole (18860-06-5) + 2-(1-cyclohexenyl)-5-phenyloxazole (1393689-74-1)

Guidance literature:

With dipotassium peroxodisulfate; 3-pyridinecarboxylic acid ethyl ester; tetrabutylammomium bromide; copper(ll) bromide; In acetonitrile; at 20 ℃; for 24h; Overall yield = 142 mg; Inert atmosphere;

DOI:10.1021/jo301332s

upstream raw materials:

N-(2-oxo-2-phenylethyl)cyclohexanecarboxamide

2-aminoacetophenone hydrochloride

cyclohexanylcarbonyl chloride

5-phenyloxazole