Spiro(5.7)tridec-1-ene-3-one

Base Information

• Chemical Name: Spiro(5.7)tridec-1-ene-3-one
• CAS No.: 60033-39-8
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.301
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID20208763
• Wikidata: Q83082909
• Mol file: 60033-39-8.mol

Synonyms:spiro[5.7]tridec-4-en-3-one;60033-39-8;Spiro(5.7)tridec-1-ene-3-one;Spiro[5.7]tridec-1-ene-3-one;3-spiro[5.7]tridec-4-enone;SCHEMBL9449773;DTXSID20208763;FT-0653398;A832581

Chemical Property of Spiro(5.7)tridec-1-ene-3-one

Chemical Property:

• Vapor Pressure: 0.000439mmHg at 25°C
• Boiling Point: 315.4°C at 760 mmHg
• Flash Point: 158.9°C
• PSA: 17.07000
• Density: 0.97g/cm³
• LogP: 3.63620
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%Min ^*data from raw suppliers

SPIRO[5.7]TRIDEC-1-EN-3-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC2(CCC1)CCC(=O)C=C2

Technology Process of Spiro(5.7)tridec-1-ene-3-one

There total 2 articles about Spiro(5.7)tridec-1-ene-3-one 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: 49.0%

1-(cyclooctylidenemethyl)piperidine (65226-88-2) + methyl vinyl ketone (78-94-4,25038-87-3) → spiro[5.7]tridec-1-en-3-one (60033-39-8)

Guidance literature:

1-(cyclooctylidenemethyl)piperidine; methyl vinyl ketone; In ethanol; for 20h; Reflux;

With water; sodium acetate; acetic acid; for 8h; Reflux;

DOI:10.15227/orgsyn.061.0129

Reference yield:

→ spiro[5.7]tridec-1-en-3-one (60033-39-8)

Guidance literature:

Verb. IIc, Methylvinylketon;

Reference yield: 73.7%

spiro[5.7]tridec-1-en-3-one (60033-39-8) → spiro<5.7>tetradeca-1,4-dien-3-one (41138-71-0)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 6h; Reflux;

DOI:10.15227/orgsyn.061.0129

upstream raw materials:

1-(cyclooctylidenemethyl)piperidine

methyl vinyl ketone

Downstream raw materials:

spiro<5.7>tetradeca-1,4-dien-3-one

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