Dicyclohexyl carbonate

Base Information

• Chemical Name: Dicyclohexyl carbonate
• CAS No.: 4427-97-8
• Molecular Formula: C13H22O3
• Molecular Weight: 226.316
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID60196099
• Nikkaji Number: J1.428.116I
• Wikidata: Q83069190
• Mol file: 4427-97-8.mol

Synonyms:Dicyclohexyl carbonate;4427-97-8;Carbonic acid, dicyclohexyl ester;Carbonic acid dicyclohexyl ester;Dicyclohexylcarbonate;SCHEMBL37472;DTXSID60196099;MFCD28718007;AKOS027323756;DS-11367;CS-0155319;O11716

Chemical Property of Dicyclohexyl carbonate

Chemical Property:

• Vapor Pressure: 8.73E-05mmHg at 25°C
• Boiling Point: 340.2°Cat760mmHg
• Flash Point: 126°C
• PSA: 35.53000
• Density: 1.04g/cm³
• LogP: 3.80500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.15689456
• Heavy Atom Count: 16
• Complexity: 193

Purity/Quality:

95% ^*data from raw suppliers

DicyclohexylCarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)OC2CCCCC2
• Uses: Dicyclohexyl Carbonate is used as a reagent in the synthesis of colon specific reduction sensitive polymers for pharmaceuticals.

Technology Process of Dicyclohexyl carbonate

There total 22 articles about Dicyclohexyl carbonate 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%

carbonic acid dimethyl ester (616-38-6) + cyclohexanol (108-93-0) → dicyclohexyl carbonate (4427-97-8) + methyl cyclohexyl carbonate (25066-36-8)

Guidance literature:

With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate; at 200 ℃; for 4h; Autoclave; Inert atmosphere;

DOI:10.1039/c2ob25447f

Reference yield: 83.0%

carbonic acid dimethyl ester (616-38-6) + cyclohexanol (108-93-0) → dicyclohexyl carbonate (4427-97-8)

Guidance literature:

With lanthanum(III) isopropoxide; 2-(2-methoxyethoxy)ethyl alcohol; In hexane; at 20 ℃; for 2h; chemoselective reaction; Reflux;

DOI:10.1021/ol102754y

Reference yield: 78.0%

urea (57-13-6) + cyclohexanol (108-93-0) → dicyclohexyl carbonate (4427-97-8)

Guidance literature:

With diisobutylaluminum hydride; triphenylphosphine;

upstream raw materials:

phosgene

cyclohexanol

diethyl ether

ethylmagnesium bromide

Refernces

• 1、 Cong, Yu,Li, Guangyi,Li, Ning,Wang, Aiqin,Wang, Lulin,Wang, Xiaodong,Zhang, Tao. "Direct synthesis of a jet fuel range dicycloalkane by the aqueous phase hydrodeoxygenation of polycarbonate". . p. 3693 - 3699. Retrieved 2021/06/06.
• 2、 Tabanelli,Monti,Cavani,Selva. "The design of efficient carbonate interchange reactions with catechol carbonate". . p. 1519 - 1528. Retrieved 2017/05/01.