1,1-Cyclohexanedicarboxylic acid, monoethyl ester

Base Information

Chemical Name:1,1-Cyclohexanedicarboxylic acid, monoethyl ester
CAS No.:54379-17-8
Molecular Formula:C10H16O4
Molecular Weight:200.235
Hs Code.:
DSSTox Substance ID:DTXSID40592752
Wikidata:Q82487026
Mol file:54379-17-8.mol

Synonyms:1,1-Cyclohexanedicarboxylic acid, monoethyl ester;1-ethoxycarbonylcyclohexane-1-carboxylate;DTXSID40592752;1-(Ethoxycarbonyl)cyclohexane-1-carboxylate

Suppliers and Price of 1,1-Cyclohexanedicarboxylic acid, monoethyl ester

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

Matrix Scientific
1,1-Cyclohexanedicarboxylic acid 1-ethyl ester 95%
5g
$ 1616.00

Acrotein
1,1-Cyclohexanedicarboxylicacid1-ethylester 97%
0.5g
$ 137.50

ACHEMBLOCK
1,1-Cyclohexanedicarboxylicacid1-ethylester 95%
1G
$ 290.00

ACHEMBLOCK
1,1-Cyclohexanedicarboxylicacid1-ethylester 95%
5G
$ 825.00

A1 Biochem Labs
1,1-Cyclohexanedicarboxylicacid1-ethylester 95%
5 g
$ 750.00

Total 8 raw suppliers

Chemical Property of 1,1-Cyclohexanedicarboxylic acid, monoethyl ester

Chemical Property:

Boiling Point:311.4±25.0 °C(Predicted)
PKA:3.76±0.20(Predicted)
PSA：66.43000
Density:1.169±0.06 g/cm3(Predicted)
LogP:0.24990
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:199.09703396
Heavy Atom Count:14
Complexity:223

Purity/Quality:

99% ^*data from raw suppliers

1,1-Cyclohexanedicarboxylic acid 1-ethyl ester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1(CCCCC1)C(=O)[O-]

Technology Process of 1,1-Cyclohexanedicarboxylic acid, monoethyl ester

There total 5 articles about 1,1-Cyclohexanedicarboxylic acid, monoethyl ester 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: 71.4%

: 1139-13-5
diethyl cyclohexane-1,1-dicarboxylate

: 54379-17-8
cyclohexane-1,1-dicarboxylic acid monoethyl ester

Guidance literature:: With potassium hydroxide; In ethanol; water; at 76 ℃; for 3h;

Reference yield:

: 946860-26-0
C₁₄H₂₄O₄

: 54379-17-8
cyclohexane-1,1-dicarboxylic acid monoethyl ester

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1016/j.bmcl.2007.04.102

Reference yield:

: 111-24-0
1,5-dibromo-pentane

: 54379-17-8
cyclohexane-1,1-dicarboxylic acid monoethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / dimethylformamide

2: TFA / CH₂Cl₂

With sodium hydride; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2007.04.102