Dimethyl 5-oxocyclohexane-1,3-dicarboxylate

Base Information

Chemical Name:Dimethyl 5-oxocyclohexane-1,3-dicarboxylate
CAS No.:87122-06-3
Molecular Formula:C10H14O5
Molecular Weight:214.218
Hs Code.:
DSSTox Substance ID:DTXSID40515648
Mol file:87122-06-3.mol

Synonyms:Dimethyl 5-oxocyclohexane-1,3-dicarboxylate;87122-06-3;1,3-dimethyl 5-oxocyclohexane-1,3-dicarboxylate;SCHEMBL1650294;5-Oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester;DTXSID40515648;FDKNXVMEWVBHTC-UHFFFAOYSA-N;AKOS016845638;Dimethyl5-oxocyclohexane-1,3-dicarboxylate;EN300-312456;5-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester;Z1813100831

Suppliers and Price of Dimethyl 5-oxocyclohexane-1,3-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

Crysdot
Dimethyl5-oxocyclohexane-1,3-dicarboxylate 95+%
1g
$ 772.00

Chemenu
dimethyl5-oxocyclohexane-1,3-dicarboxylate 95%
1g
$ 729.00

American Custom Chemicals Corporation
DIMETHYL-5-OXOCYCLOHEXANE-1,3-DICARBOXYLATE 95.00%
5MG
$ 505.01

Total 6 raw suppliers

Chemical Property of Dimethyl 5-oxocyclohexane-1,3-dicarboxylate

Chemical Property:

PSA：69.67000
LogP:0.31780
Storage Temp.:2-8°C
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:214.08412354
Heavy Atom Count:15
Complexity:258

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl5-oxocyclohexane-1,3-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CC(CC(=O)C1)C(=O)OC

Technology Process of Dimethyl 5-oxocyclohexane-1,3-dicarboxylate

There total 3 articles about Dimethyl 5-oxocyclohexane-1,3-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: 74.0%

: 113474-25-2
5-hydroxy-cyclohexane-1,3-dicarboxylic acid dimethyl ester

: 87122-06-3
dimethyl 5-oxocyclohexane-1,3-dicarboxylate

Guidance literature:: With pyridine-SO₃ complex; triethylamine; In dichloromethane; dimethyl sulfoxide; at 10 - 25 ℃; Inert atmosphere;

Reference yield: 32.0%

: 90954-19-1
3,5-Dicarboxy-cyclohexanon

: 74-88-4
methyl iodide

: 87122-06-3
dimethyl 5-oxocyclohexane-1,3-dicarboxylate

Guidance literature:: With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

Reference yield:

: 13036-02-7
Dimethyl 5-hydroxyisophthalate

: 87122-06-3
dimethyl 5-oxocyclohexane-1,3-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; acetic acid / Rh/Al₂O₃ / methanol / 0 - 25 °C / 2844.39 Torr

2: triethylamine; pyridine-SO₃ complex / dichloromethane; dimethyl sulfoxide / 10 - 25 °C / Inert atmosphere

With pyridine-SO₃ complex; hydrogen; acetic acid; triethylamine; Rh/Al₂O₃; In methanol; dichloromethane; dimethyl sulfoxide;