(1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone

Base Information

• Chemical Name: (1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone
• CAS No.: 80706-60-1
• Molecular Formula: C11H10O2
• Molecular Weight: 174.199
• DSSTox Substance ID: DTXSID90508601
• Mol file: 80706-60-1.mol

Synonyms:80706-60-1;(1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone;DTXSID90508601

Chemical Property of (1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12C(O2)C(=O)C3=CC=CC=C3

Technology Process of (1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone

There total 2 articles about (1-Oxaspiro[2.2]pentan-2-yl)(phenyl)methanone 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: 56.0%

hydroxybenzyl-2 oxaspiropentane (80706-69-0) → benzoyl-2 oxaspiropentane (80706-60-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)91582-0

Reference yield:

cyclopropylidene-2 phenyl-1 ethanol (79012-04-7) → benzoyl-2 oxaspiropentane (80706-60-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / m-chloroperbenzoic acid, NaHPO₄ / CH₂Cl₂ / 25 °C

2: 56 percent / MnO₂ / CH₂Cl₂

With manganese(IV) oxide; camphor-10-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1246/cl.1981.1515

Reference yield:

benzoyl-2 oxaspiropentane (80706-60-1) → 6-phenyl-3,4-dihydropyran-2-one (4055-00-9) + 5-oxo-5-phenylvaleric acid (1501-05-9)

Guidance literature:

With lithium bromide; In tetrachloromethane; at 45 ℃;

DOI:10.1016/S0040-4020(01)91582-0

upstream raw materials:

hydroxybenzyl-2 oxaspiropentane

cyclopropylidene-2 phenyl-1 ethanol

Downstream raw materials:

6-phenyl-3,4-dihydropyran-2-one

5-oxo-5-phenylvaleric acid

benzoyl-2 cyclobutanone