Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl-

Base Information

• Chemical Name: Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl-
• CAS No.: 57629-47-7
• Molecular Formula: C15H21NO
• Molecular Weight: 231.338
• DSSTox Substance ID: DTXSID20482243
• Nikkaji Number: J1.223.285C
• Wikidata: Q82318378
• Mol file: 57629-47-7.mol

Synonyms:2-(2-butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole;57629-47-7;Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl-;DTXSID20482243;2-(2-butyl-phenyl)-4,4-dimethyl-5H-oxazole

Chemical Property of Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 231.162314293
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=CC=C1C2=NC(CO2)(C)C

Technology Process of Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl-

There total 12 articles about Oxazole, 2-(2-butylphenyl)-4,5-dihydro-4,4-dimethyl- 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: 73.0%

n-butyl magnesium bromide (693-03-8) + 2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline (57598-33-1) → 2-(2-Butylphenyl)-4,4-dimethyl-2-oxazoline (57629-47-7)

Guidance literature:

In diethyl ether; for 18h; Ambient temperature;

Reference yield: 67.0%

2-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole (98191-99-2) → 2-(2-Butylphenyl)-4,4-dimethyl-2-oxazoline (57629-47-7)

Guidance literature:

manganese(ll) chloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1055/s-1999-3644

Reference yield:

m-Chlorobenzoyl chloride (618-46-2) → 2-(2-Butylphenyl)-4,4-dimethyl-2-oxazoline (57629-47-7)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 14 h / Ambient temperature

2: 70 percent / thionyl chloride / benzene; CH₂Cl₂ / 1.) reflux, 2.) room temperature, 2.5 h

3: 2.) EtOH / 1.) pentane, -78 deg C, 0.5 h; room temperature, 0.5 h, 2.) pentane, room temperature, 6 h

With thionyl chloride; ethanol; In dichloromethane; benzene;

DOI:10.1021/ja00229a037

upstream raw materials:

n-butyl magnesium bromide

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

n-butyllithium

2-(m-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Downstream raw materials:

2-(2,6-dibutylphenyl)-4,5-dihydro-4,4-dimethyl-1,3-oxazole

2-butylbenzoic acid

2-(2-Butyl-benzylamino)-2-methyl-propan-1-ol

2-(2-n-butyl-6-methylphenyl)-4,4-dimethyl-2-oxazoline