Spiro[5.5]undeca-1,8-dien-3-one

Base Information

• Chemical Name: Spiro[5.5]undeca-1,8-dien-3-one
• CAS No.: 30834-47-0
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2914299000
• NSC Number: 286672
• Nikkaji Number: J2.141.463H
• Mol file: 30834-47-0.mol

Synonyms:Spiro[5.5]undeca-1,8-dien-3-one;30834-47-0;spiro[5.5]undeca-4,9-dien-3-one;Spiro(5.5)undeca-1,8-dien-3-one;NSC286672;spiro[5.5]undeca-1,8-dien-3-on;NSC 286672;NSC-286672

Chemical Property of Spiro[5.5]undeca-1,8-dien-3-one

Chemical Property:

• Vapor Pressure: 0.00266mmHg at 25°C
• Boiling Point: 286.3°C at 760 mmHg
• Flash Point: 113.8°C
• PSA: 17.07000
• Density: 1.03g/cm³
• LogP: 2.63200
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Spiro[5.5]undeca-1,8-dien-3-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC(=O)C=C2)CC=C1

Technology Process of Spiro[5.5]undeca-1,8-dien-3-one

There total 6 articles about Spiro[5.5]undeca-1,8-dien-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: 78.0%

4-(1-[1,3]Dioxolan-2-yl-cyclohex-3-enylmethyl)-3,5-dimethyl-isoxazole (85679-15-8) → spiro[5,5]undeca-1,8-dien-3-one (30834-47-0)

Guidance literature:

With methanol; samarium diiodide; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1016/S0040-4039(00)85559-8

Reference yield: 49.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 3-Cyclohexene-1-carboxaldehyde (100-50-5,61746-36-9) → spiro[5,5]undeca-1,8-dien-3-one (30834-47-0)

Guidance literature:

With sulfuric acid; In benzene; for 3h; Heating;

DOI:10.1021/ol047681d

Reference yield:

(Butanon-3')yl-1-cyclohexen-3-carboxaldehyd (30834-49-2) → spiro[5,5]undeca-1,8-dien-3-one (30834-47-0)

Guidance literature:

With potassium hydroxide; at 60 ℃; for 12h;

upstream raw materials:

4-(1-[1,3]Dioxolan-2-yl-cyclohex-3-enylmethyl)-3,5-dimethyl-isoxazole

(Butanon-3')yl-1-cyclohexen-3-carboxaldehyd

4-pyrrolidinomethylidene-cyclohexene

methyl vinyl ketone

Downstream raw materials:

spiro[5,5]undeca-1,4,7,10-tetraene-3,9-dione

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