4-tert-Butylcyclohexanone diethyl acetal

Base Information

• Chemical Name: 4-tert-Butylcyclohexanone diethyl acetal
• CAS No.: 1900-58-9
• Molecular Formula: C14H28O2
• Molecular Weight: 228.375
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID70172465
• Wikidata: Q83042573
• Mol file: 1900-58-9.mol

Synonyms:4-tert-Butylcyclohexanone diethyl acetal;1900-58-9;4-tert-Butyl-1,1-diethoxycyclohexane;4-t-Butylcyclohexanone diethyl ketal;Cyclohexane, 4-(1,1-dimethylethyl)-1,1-diethoxy-;Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy-;DTXSID70172465;QTSXNUWFLGKEKB-UHFFFAOYSA-N;MFCD00043564;AKOS015838854;4-tert-Butyl-1,1-diethoxycyclohexane #;FT-0619508

Chemical Property of 4-tert-Butylcyclohexanone diethyl acetal

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 267.5 °C at 760 mmHg
• Flash Point: 78.3 °C
• PSA: 18.46000
• Density: 0.89 g/cm³
• LogP: 3.99200
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

4-tert-ButylcyclohexanoneDiethylAcetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1(CCC(CC1)C(C)(C)C)OCC

Technology Process of 4-tert-Butylcyclohexanone diethyl acetal

There total 9 articles about 4-tert-Butylcyclohexanone diethyl acetal 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:

ethanol (64-17-5) + 4-tercbutyl-cyclohexanone (98-53-3) → 1,1-diethoxy-4-tert-butylcyclohexanone (1900-58-9) + trans-4-tert-butylcyclohexanol (21862-63-5) + cis-4-tert-butyl-1-cyclohexanol (937-05-3) + cis-4-ethoxy-tert-butylcyclohexane (1900-57-8)

Guidance literature:

With hydrogen; rhodium; Product distribution; Ambient temperature; reactions under var. conditions;

DOI:10.1246/bcsj.62.2948

Reference yield:

4-tercbutyl-cyclohexanone (98-53-3) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxy-4-tert-butylcyclohexanone (1900-58-9)

Guidance literature:

With ammonium nitrate;

DOI:10.1021/jo01014a047

Reference yield:

1-oxa-4-thia-8-t-butylspiro<4.5>decane (1900-74-9) → 1,1-diethoxy-4-tert-butylcyclohexanone (1900-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney-Ni

2: NH₄NO₃

With ammonium nitrate; nickel;

DOI:10.1021/jo01014a047

upstream raw materials:

4-tercbutyl-cyclohexanone

orthoformic acid triethyl ester

ethanol

1-oxa-4-thia-8-t-butylspiro<4.5>decane

Downstream raw materials:

Bis-(5-tert-butyl-2,2-diethoxy-cyclohexyl)-diazene N,N'-dioxide

1-ethoxy-4-tert-butylcyclohexene

1,1-Diethoxy-2-oximino-4-t-butylcyclohexan

2-Ethoxy-3-oximino-5-tert.-butylcyclohexen

Refernces

• 1、 Bailey, William F.,Shih, Mei-Jue. "Oxidation of Ketals to Orthocarbonates: A Double Baeyer-Villiger Reaction". . p. 1769 - 1771. Retrieved 2007/10/02.