1,1-Diisopropoxycyclohexane

Base Information

• Chemical Name: 1,1-Diisopropoxycyclohexane
• CAS No.: 1132-95-2
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 2909209000
• European Community (EC) Number: 413-740-8
• DSSTox Substance ID: DTXSID10471707
• Nikkaji Number: J385.607K
• Wikidata: Q72467365
• Mol file: 1132-95-2.mol

Synonyms:1,1-Diisopropoxycyclohexane;1132-95-2;1,1-di(propan-2-yloxy)cyclohexane;cyclohexanone diisopropyl ketal;Cyclohexane, 1,1-bis(1-methylethoxy)-;diisopropoxycyclohexane;Cyclohexanone Diisopropylketal;1,1-Diisopropoxy-Cyclohexane;EC 413-740-8;SCHEMBL1348020;DTXSID10471707;1,1-Bis(1-methylethoxy)cyclohexane;MFCD00236381;AKOS015901667;AM84344;CS-W015602;AC-10423;DS-16096;D4085;FT-0624195;NS00077689;H10844;A803038;J-503739

Chemical Property of 1,1-Diisopropoxycyclohexane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.073mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 236.452 °C at 760 mmHg
• Flash Point: 69.237 °C
• PSA: 18.46000
• Density: 0.901 g/cm³
• LogP: 3.49680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

1,1-Diisopropoxycyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1(CCCCC1)OC(C)C

Technology Process of 1,1-Diisopropoxycyclohexane

There total 3 articles about 1,1-Diisopropoxycyclohexane 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: 94.0%

Triisopropoxymethan (4447-60-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1,1-diisopropoxycyclohexane (1132-95-2)

Guidance literature:

With cerium triflate; In isopropyl alcohol; toluene; at 20 ℃; for 0.0833333h;

DOI:10.1055/s-0028-1087534

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + isopropyl alcohol (67-63-0,8013-70-5) → 1,1-diisopropoxycyclohexane (1132-95-2)

Guidance literature:

With molecular sieve; toluene-4-sulfonic acid; In cyclohexane;

DOI:10.1055/s-1972-21893

Reference yield:

→ 1,1-diisopropoxycyclohexane (1132-95-2)

Guidance literature:

Cyclohexanon, Aceton-diisopropylketal, Propan-2-ol, Toluol-4-sulfonsaeure <30min;Raumtemp.> (Ausb.:29percent);

DOI:10.1021/jo01074a011

upstream raw materials:

cyclohexanone

isopropyl alcohol

Triisopropoxymethan

Downstream raw materials:

14,15-dehydroerythromycin A 9-O-(1-isopropoxycyclohexyl)oxime

9-{O-[1-(1-methylethoxy)-cyclohexyl]oxime}-erythromycin

E-2',4-O-bis(trimethylsilyl)erythromycin A 9-O-(1-isopropyloxycyclohexyl)oxime

erythromycin A (9E)-(1-isopropoxycychex-1-yl)oxime