4-Methylene-1,3-dioxaspiro[4.5]decan-2-one

Base Information

• Chemical Name: 4-Methylene-1,3-dioxaspiro[4.5]decan-2-one
• CAS No.: 92474-80-1
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90350682
• Nikkaji Number: J450.588C
• Wikidata: Q82126751
• Mol file: 92474-80-1.mol

Synonyms:4-Methylene-1,3-dioxaspiro[4.5]decan-2-one;92474-80-1;4-methylidene-1,3-dioxaspiro[4.5]decan-2-one;SCHEMBL1694589;DTXSID90350682;MFCD01593659;STK675858;AKOS005593872;CS-0325836;FT-0692547;1,3-Dioxaspiro[4.5]decan-2-one,4-methylene-;SR-01000526353;SR-01000526353-1

Chemical Property of 4-Methylene-1,3-dioxaspiro[4.5]decan-2-one

Chemical Property:

• Vapor Pressure: 0.0717mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 228.9°Cat760mmHg
• Flash Point: 96°C
• PSA: 35.53000
• Density: 1.15g/cm³
• LogP: 2.36980
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

4-METHYLENE-1,3-DIOXASPIRO[4.5]DECAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1C2(CCCCC2)OC(=O)O1

Technology Process of 4-Methylene-1,3-dioxaspiro[4.5]decan-2-one

There total 2 articles about 4-Methylene-1,3-dioxaspiro[4.5]decan-2-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: 56.0%

carbon dioxide (124-38-9,18923-20-1) + 1-Ethynylcyclohexan-1-ol (78-27-3) → 4-methylidene-1,3-dioxaspiro[4.5]decan-2-one (92474-80-1) + 1-(1-hydroxycyclohexyl)ethan-1-one (1123-27-9)

Guidance literature:

With 1-methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine; In acetonitile; at 100 ℃; for 24h; under 33003.3 Torr; Autoclave;

DOI:10.1002/adsc.201000607

Reference yield: 35.0%

carbon dioxide (124-38-9,18923-20-1) + 1-Ethynylcyclohexan-1-ol (78-27-3) → 4-methylidene-1,3-dioxaspiro[4.5]decan-2-one (92474-80-1) + 1-(1-hydroxycyclohexyl)ethan-1-one (1123-27-9) + bis(1-acetylcyclohexyl) carbonate (1269247-65-5)

Guidance literature:

With 1-methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine; at 100 ℃; for 24h; under 7500.75 Torr; Autoclave;

DOI:10.1002/adsc.201000607

Reference yield: 86.0%

4-methylidene-1,3-dioxaspiro[4.5]decan-2-one (92474-80-1) + iodobenzene (591-50-4) → (4Z)-4-benzylidene-1,3-dioxaspiro[4.5]decan-2-one

Guidance literature:

With silver trifluoroacetate; triphenylphosphine; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 20h;

DOI:10.1016/S0040-4039(00)00889-3

upstream raw materials:

carbon dioxide

1-Ethynylcyclohexan-1-ol

Downstream raw materials:

4-hydroxy-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

4-hydroxy-4-methyl-3-phenethyl-1-oxa-3-aza-spiro[4.5]decan-2-one