2-Phenyl-2-(propan-2-yl)oxirane

Base Information

• Chemical Name: 2-Phenyl-2-(propan-2-yl)oxirane
• CAS No.: 16282-55-6
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• European Community (EC) Number: 873-066-9
• Nikkaji Number: J929.187C
• Mol file: 16282-55-6.mol

Synonyms:2-phenyl-2-(propan-2-yl)oxirane;16282-55-6;Oxirane, 2-(1-methylethyl)-2-phenyl- (9CI);2-phenyl-2-propan-2-yloxirane;SCHEMBL5853096;AKOS012068687;403501-36-0;CS-0258771;EN300-71324;G44448;Oxirane,2-(1-methylethyl)-2-phenyl-,(+)-(9ci);Z1020684114

Chemical Property of 2-Phenyl-2-(propan-2-yl)oxirane

Chemical Property:

• PSA: 12.53000
• LogP: 2.56810
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2-phenyl-2-(propan-2-yl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(CO1)C2=CC=CC=C2

Technology Process of 2-Phenyl-2-(propan-2-yl)oxirane

There total 3 articles about 2-Phenyl-2-(propan-2-yl)oxirane 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: 89.0%

trimethylsulphonium iodide (2181-42-2) + phenyl isopropyl ketone (611-70-1) → 2-(1-methylethyl)-2-phenyloxirane (16282-55-6)

Guidance literature:

With potassium tert-butylate; In neat (no solvent); at 70 ℃; for 1h; kugelrohr distillation at the end of reaction;

DOI:10.3987/COM-97-S69

Reference yield: 88.0%

trimethylsulfoxonium iodide (1774-47-6) + phenyl isopropyl ketone (611-70-1) → 2-(1-methylethyl)-2-phenyloxirane (16282-55-6)

Guidance literature:

trimethylsulfoxonium iodide; With potassium tert-butylate; In dimethyl sulfoxide; at 0 ℃; for 0.166667h; Inert atmosphere;

phenyl isopropyl ketone; In dimethyl sulfoxide; at 0 - 20 ℃; for 17h; Inert atmosphere;

DOI:10.1002/adsc.201900372

Reference yield: 59.0%

3-methyl-2-phenyl-1-butene (17498-71-4) → 2-(1-methylethyl)-2-phenyloxirane (16282-55-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja400325w

upstream raw materials:

3-methyl-2-phenyl-1-butene

trimethylsulphonium iodide

phenyl isopropyl ketone

trimethylsulfoxonium iodide

Downstream raw materials:

2-phenyl-3-methylbutanol

3-methyl-2-phenylbutanal

2-isopropyl-2-phenyloxirane

2-isopropyl-2-phenyloxirane