Diethyl 2-methylcyclohexane-1,1-dicarboxylate

Base Information

Chemical Name:Diethyl 2-methylcyclohexane-1,1-dicarboxylate
CAS No.:5222-56-0
Molecular Formula:C₁₃H₂₂O₄
Molecular Weight:242.315
Hs Code.:
NSC Number:117483
DSSTox Substance ID:DTXSID20297713

Synonyms:5222-56-0;NSC 117483;diethyl 2-methylcyclohexane-1,1-dicarboxylate;NSC117483;SCHEMBL2357465;DTXSID20297713;NSC-117483

Suppliers and Price of Diethyl 2-methylcyclohexane-1,1-dicarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Diethyl 2-methylcyclohexane-1,1-dicarboxylate

Chemical Property:

Vapor Pressure:0.00424mmHg at 25°C
Boiling Point:278.5°Cat760mmHg
Flash Point:125.4°C
Density:1.039g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:242.15180918
Heavy Atom Count:17
Complexity:267

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1(CCCCC1C)C(=O)OCC

Technology Process of Diethyl 2-methylcyclohexane-1,1-dicarboxylate

There total 15 articles about Diethyl 2-methylcyclohexane-1,1-dicarboxylate 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: 55.0%

: 627-96-3
1,5-dibromohexane

: 105-53-3
diethyl malonate

: 5222-56-0
methyl-2 cyclohexanedicarboxylate-1,1 de ethyle

Guidance literature:: With sodium hydride; In 1,2-dimethoxyethane;

Reference yield:

: 118-90-1
ortho-methylbenzoic acid

: 5222-56-0
methyl-2 cyclohexanedicarboxylate-1,1 de ethyle

Guidance literature:: Multi-step reaction with 3 steps

1: 81.5 percent / Hydrogen / 5percent Rh/alumina / ethanol

2: 61.2 percent / conc H₂SO₄ / benzene / 17 h / Heating

3: n-BuLi, diisopropylamine

With n-butyllithium; sulfuric acid; hydrogen; diisopropylamine; Rh/Al₂O₃; In ethanol; benzene;
DOI:10.1021/jo01309a007