Spiro[4.5]decane

Base Information

• Chemical Name: Spiro[4.5]decane
• CAS No.: 176-63-6
• Molecular Formula: C10H18
• Molecular Weight: 138.253
• Hs Code.: 2902199090
• NSC Number: 169768
• UNII: 8Z5JKZ5PEM
• DSSTox Substance ID: DTXSID40170059
• Nikkaji Number: J44.176G
• Wikipedia: Spirodecane
• Wikidata: Q5927319
• Mol file: 176-63-6.mol

Synonyms:Spiro[4.5]decane;176-63-6;Spiro[4.5]decan;Spiro(4-5)decane;Spiro(4.5)decane;8Z5JKZ5PEM;Spiro(4,5)decane;Spiro[4,5]decane;NSC-169768;Spirodecane;spiro[5.4]decane;NSC169768;UNII-8Z5JKZ5PEM;C123CCCC1.C2CCCC3;DTXSID40170059;NSC 169768;Q5927319

Chemical Property of Spiro[4.5]decane

Chemical Property:

• Vapor Pressure: 0.541mmHg at 25°C
• Refractive Index: 1.4860 (estimate)
• Boiling Point: 197.1°Cat760mmHg
• Flash Point: 56.8°C
• PSA: 0.00000
• Density: 0.88g/cm³
• LogP: 3.51090
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 138.140850574
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)CCCC2

Technology Process of Spiro[4.5]decane

There total 2 articles about Spiro[4.5]decane 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:

cis-decahydronaphthalene → trans-bicyclo[4.4.0]decane + tetralin (119-64-2) + 1-methyl-2-propyl-cyclohexane (4291-79-6,4926-71-0,42806-77-9,130365-42-3,130365-43-4,130365-46-7,130365-47-8,130365-50-3,130365-51-4) + butylcyclohexane (1678-93-9) + spiro[4.5]decane (176-63-6)

Guidance literature:

With 2.68 wt.% platinum on non-acidic silica; hydrogen; at 350 ℃; under 750.075 Torr; Autoclave;

DOI:10.1016/j.apcata.2012.03.010

Reference yield:

cyclohexylmagnesium bromide (931-50-0) → spiro[4.5]decane (176-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₄Cl / diethyl ether

2: Zn-Cu / diethyl ether

With copper; ammonium chloride; zinc; In diethyl ether;

DOI:10.1021/jo00867a001

Reference yield:

aluminium trichloride (7446-70-0) + spiro[4.5]decane (176-63-6) → trans-Decalin (493-02-7)

Guidance literature:

at 50 - 100 ℃;

upstream raw materials:

cyclohexylmagnesium bromide

Downstream raw materials:

naphthalene

trans-Decalin