4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-1,3-oxazole

Base Information

• Chemical Name: 4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-1,3-oxazole
• CAS No.: 36879-74-0
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.257
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90702849
• Wikidata: Q82634862
• Mol file: 36879-74-0.mol

Synonyms:DTXSID90702849;4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-1,3-oxazole

Chemical Property of 4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-1,3-oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 3.36050
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(N=CO1)C2=CCC=CC2

Technology Process of 4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-1,3-oxazole

There total 2 articles about 4-(Cyclohexa-1,4-dien-1-yl)-5-propyl-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:

butyraldehyde (123-72-8) + 3-phenyl-2H-azirine (7654-06-0) → 4-phenyl-5-propyl-2,5-dihydro-oxazole (36879-74-0)

Guidance literature:

In benzene; at 11 - 12 ℃; for 9h; Irradiation;

DOI:10.1002/hlca.19730560745

Reference yield:

→ 4-phenyl-5-propyl-2,5-dihydro-oxazole (36879-74-0)

Guidance literature:

Azirin 4, Butyraldehyd,Bestrahlung;

DOI:10.1002/hlca.19720550302

upstream raw materials:

butyraldehyde

3-phenyl-2H-azirine