Dicyclohexano-18-crown-6

Base Information

• Chemical Name: Dicyclohexano-18-crown-6
• CAS No.: 16069-36-6
• Deprecated CAS: 34044-48-9
• Molecular Formula: C20H36 O6
• Molecular Weight: 372.502
• Hs Code.: 2932.99
• European Community (EC) Number: 240-216-4
• NSC Number: 252171
• DSSTox Substance ID: DTXSID30884870
• Nikkaji Number: J149.875D
• ChEMBL ID: CHEMBL155379
• Mol file: 16069-36-6.mol

Synonyms:dicyclohexano-18-crown-6;dicyclohexyl-18-crown-6

Chemical Property of Dicyclohexano-18-crown-6

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 51 - 54 C
• Refractive Index: 1.4909
• Boiling Point: 344°C
• Flash Point: 203.8°C
• PSA: 55.38000
• Density: 1.008g/cm³
• LogP: 2.72200
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 372.25118886
• Heavy Atom Count: 26
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xn
• Statements: 23/24/25-36/37/38-20/21/22-36/38-22
• Safety Statements: 26-36/37/39-45-38-28A-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
• Uses: Dicyclohexano is used as an anion activator and complexing agent which solubilizes alkali metal ions in non-polar solvents. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs etc,. Anion activator, and complexing agent which solubilizes alkali metal ions in non-polar solvents.

Technology Process of Dicyclohexano-18-crown-6

There total 18 articles about Dicyclohexano-18-crown-6 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: 40.0%

1,2-Cyclohexanediol (931-17-9) + 3-oxa-1,5-dichloropentane (111-44-4) → perhydrodibenzo-18-crown-6 (16069-36-6)

Guidance literature:

With potassium hydroxide; DCH₁₈C₆; at 80 ℃; for 10h;

Reference yield: 38.0%

C16H30O5 (54356-45-5,54383-25-4,74310-49-9) + diethylene glycol ditosylate (7460-82-4) → (R)-trans-anti-trans-dicyclohexano-18-crown-6 (15128-65-1,15128-66-2,16069-36-6,54383-26-5,54383-27-6,62623-98-7,88904-37-4)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 40h;

DOI:10.1016/S0040-4039(02)01187-5

Reference yield: 35.4%

trans-1,2-cyclohexandiol (1460-57-7) + trans-1,2-bis(6-chloro-1,4-dioxahexyl)cyclohexane → perhydrodibenzo-18-crown-6 (16069-36-6)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In toluene; at 90 ℃; for 15h;

upstream raw materials:

dibenzo-18-crown-6

1,2-Bis-(2-chlorethoxy)-cyclohexan

1,2-Bis-(2-hydroxyethoxy)-cyclohexan

1,2-Cyclohexanediol

Downstream raw materials:

hydrogen fluoride

boric acid

((Ni(salophen)Na)2(DHCH))n