2-Oxepanone, 7-(2-propenyl)-

Base Information

• Chemical Name: 2-Oxepanone, 7-(2-propenyl)-
• CAS No.: 68854-26-2
• Molecular Formula: C9H14O2
• Molecular Weight: 154.209
• DSSTox Substance ID: DTXSID90451183
• Nikkaji Number: J1.147.308C

Synonyms:2-Oxepanone, 7-(2-propenyl)-;68854-26-2;7-Allyloxepan-2-one;7-prop-2-enyloxepan-2-one;7-Allyloxepane-2-one;starbld0001974;SCHEMBL1414893;DTXSID90451183;7-(prop-2-en-1-yl)oxepan-2-one

Chemical Property of 2-Oxepanone, 7-(2-propenyl)-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1CCCCC(=O)O1

Technology Process of 2-Oxepanone, 7-(2-propenyl)-

There total 1 articles about 2-Oxepanone, 7-(2-propenyl)- 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: 63.0%

2-allylcyclohexan-1-one (94-66-6) → 2-(2,3-Epoxy-propyl)-cyclohexanon (90611-54-4) + 7-allyloxepan-2-one (68854-26-2)

Guidance literature:

With oxygen; benzaldehyde; iron(III) oxide; In benzene; for 17h; under 760 Torr; Ambient temperature;

DOI:10.1016/S0040-4039(00)60823-7

Reference yield: 60.0%

7-allyloxepan-2-one (68854-26-2) + 2-fluorostyrene (394-46-7) → (E)-7-(3-(2-fluorophenyl)allyl)oxepan-2-one

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 20 ℃; for 23h; Inert atmosphere;

DOI:10.1002/anie.201606792

Reference yield:

7-allyloxepan-2-one (68854-26-2) → rac-(2SR,4RS)-2-benzylcyclooctane-1,4-diol

Guidance literature:

Multi-step reaction with 2 steps

1: Hoveyda-Grubbs catalyst second generation / dichloromethane / 23 h / 20 °C / Inert atmosphere

2: samarium diiodide / tetrahydrofuran; water

With Hoveyda-Grubbs catalyst second generation; samarium diiodide; In tetrahydrofuran; dichloromethane; water; 1: |Cross Metathesis;

DOI:10.1002/anie.201606792

upstream raw materials:

2-allylcyclohexan-1-one

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