4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one

Base Information

• Chemical Name: 4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one
• CAS No.: 22773-09-7
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.274
• NSC Number: 364000
• DSSTox Substance ID: DTXSID60320756
• Mol file: 22773-09-7.mol

Synonyms:22773-09-7;NSC 364000;4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one;4,7,7-trimethyl-1-oxaspiro[4.5]dec-3-en-2-one;NSC364000;DTXSID60320756;NSC-364000;4,7,7-trimethyl-1-oxaspiro[4.5]dec-3-en-2-on

Chemical Property of 4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one

Chemical Property:

• Vapor Pressure: 0.000396mmHg at 25°C
• Boiling Point: 317°Cat760mmHg
• Flash Point: 130.3°C
• Density: 1.04g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC12CCCC(C2)(C)C

Technology Process of 4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one

There total 3 articles about 4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-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: 91.0%

3-Methyl-3-(4-methyl-3-pentenyl)-4-penten-4-olide (89609-40-5) → 4,7,7-trimethyl-1-oxa-spiro[4.5]dec-3-en-2-one (22773-09-7)

Guidance literature:

With sulfuric acid; In tetrachloromethane; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)84590-6

Reference yield: 58.0%

3-Methyl-3-(4-methyl-3-pentenyl)-4-penten-4-olide (89609-40-5) → 4,7,7-trimethyl-1-oxa-spiro[4.5]dec-3-en-2-one (22773-09-7) + 2-(2'-Ethansaeure)-2,6,6-trimethylcycloheptanon (51830-64-9) + 3a,7,7-trimethyl-3,3a,4,5,6,7-hexahydro-cyclohepta[b]furan-2-one (51830-65-0) + ((3aR,6R,6aS)-3,3,6,6a-Tetramethyl-2-oxo-hexahydro-cyclopenta[b]furan-6-yl)-acetic acid (108287-29-2)

Guidance literature:

With sulfuric acid; Mechanism;

DOI:10.1016/S0040-4039(00)84590-6

Reference yield:

→ 4,7,7-trimethyl-1-oxa-spiro[4.5]dec-3-en-2-one (22773-09-7)

Guidance literature:

Ketoester IIa, BF3/Ac2O/AcOH;

DOI:10.1039/C29690000535

upstream raw materials:

3-Methyl-3-(4-methyl-3-pentenyl)-4-penten-4-olide