1,2,4-Trioxaspiro[4.5]decane

Base Information

• Chemical Name: 1,2,4-Trioxaspiro[4.5]decane
• CAS No.: 177-12-8
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• DSSTox Substance ID: DTXSID10444254
• Nikkaji Number: J1.180.849B
• Wikidata: Q82262341

Synonyms:1,2,4-Trioxaspiro[4.5]decane;177-12-8;SCHEMBL6786996;DTXSID10444254

Chemical Property of 1,2,4-Trioxaspiro[4.5]decane

Chemical Property:

• Boiling Point: 191.8±29.0 °C(Predicted)
• PSA: 27.69000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 1.58270
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)OCOO2

Technology Process of 1,2,4-Trioxaspiro[4.5]decane

There total 1 articles about 1,2,4-Trioxaspiro[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: 8.0%

methylenecyclohexane (1192-37-6) → 1,2,4-Trioxaspiro<4.5>decan (177-12-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With ozone; In pentane; at -78 ℃; Yield given;

DOI:10.1016/S0040-4039(00)73982-7

Reference yield: 93.0%

1,2,4-Trioxaspiro<4.5>decan (177-12-8) + toluene-4-sulfonic acid hydrazide (1576-35-8) → N'-cyclohexylidene-4-methylbenzene-1-sulfonohydrazide (4545-18-0)

Guidance literature:

With triethylamine; In dichloromethane; for 0.2h;

DOI:10.1016/0040-4020(95)00431-7

Reference yield: 89.0%

1,2,4-Trioxaspiro<4.5>decan (177-12-8) + Methyl diethylphosphonoacetate (1067-74-9) → methyl 2-cyclohexylideneacetate (40203-74-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 0.2h; 1.) 0 deg C, 15 min;

DOI:10.1016/0040-4020(95)00431-7

upstream raw materials:

methylenecyclohexane

Downstream raw materials:

N-cyclohexylpyrrolidine

N-cyclohexylmorpholine

4-cyclohexen-1-ylmorpholine

N-benzyl-N-cyclohexyl-N-methylamine

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