8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one

Base Information

• Chemical Name: 8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one
• CAS No.: 72258-83-4
• Molecular Formula: C13H22 O2
• Molecular Weight: 210.316
• European Community (EC) Number: 276-543-4
• DSSTox Substance ID: DTXSID80222586
• Nikkaji Number: J299.075J
• Mol file: 72258-83-4.mol

Synonyms:72258-83-4;8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one;EINECS 276-543-4;SCHEMBL3330226;DTXSID80222586;NS00037352

Chemical Property of 8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one

Chemical Property:

• Vapor Pressure: 0.00357mmHg at 25°C
• Boiling Point: 281.4°C at 760 mmHg
• Flash Point: 113.1°C
• PSA: 26.30000
• Density: 0.99g/cm³
• LogP: 3.29850
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC2(CC1)CCC(=O)O2

Technology Process of 8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one

There total 42 articles about 8-(1,1-Dimethylethyl)-1-oxaspiro(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: 86.0%

trans-4-(tert-butyl)-1-[3-methoxyprop-2-enyl]cyclohexan-1-ol → trans-8-(tert-butyl)-1-oxaspiro[4.5]decan-2-one (31610-67-0,72258-83-4,31499-51-1)

Guidance literature:

trans-4-(tert-butyl)-1-[3-methoxyprop-2-enyl]cyclohexan-1-ol; With sulfuric acid; In tetrahydrofuran; at 20 ℃;

With pyridinium chloroformate; 4 A molecular sieve; In dichloromethane; at 20 ℃;

DOI:10.1055/s-2004-829175

Reference yield: 81.0%

1-tert-butyl-4-methylenecyclohexane (13294-73-0) + ethyl iodoacetae (623-48-3) → cis- and trans-8-(tert-butyl)-1-oxaspiro[4.5]decan-2-one (72258-83-4)

Guidance literature:

With trans-di-O-tert-butyl hyponitrite; In ethyl acetate; for 0.5h; Reflux;

DOI:10.1002/adsc.202001000

Reference yield: 71.0%

4-tercbutyl-cyclohexanone (98-53-3) + ethyl acrylate (140-88-5,9003-32-1) → cis- and trans-8-(tert-butyl)-1-oxaspiro[4.5]decan-2-one (72258-83-4)

Guidance literature:

With samarium diiodide; tert-butyl alcohol; In tetrahydrofuran; for 2h; Ambient temperature; diastereoselectivity;

upstream raw materials:

(+/-)-2-(1-ethoxyethoxy)-but-3-enenitrile

4-tercbutyl-cyclohexanone

2-ethoxycarbonyethylzinc iodide

ethyl acrylate

Downstream raw materials:

(+/-)-3-[4(tert-butyl)cyclohex-1-en-1-yl]propanal

6-(tert-butyl)-2,3,4,5,6,7-hexahydro-1H-inden-1-one

3-[4(tert-butyl)cyclohex-1-en-1-yl]propanoic acid

4-tert-Butyl-1-(3-hydroxy-propyl)-cyclohexanol