Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate

Base Information

Chemical Name:Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate
CAS No.:32767-46-7
Molecular Formula:C10H16O3
Molecular Weight:184.235
Hs Code.:2918300090
European Community (EC) Number:868-180-0
DSSTox Substance ID:DTXSID90415649
Mol file:32767-46-7.mol

Synonyms:32767-46-7;METHYL 4,4-DIMETHYL-2-OXOCYCLOHEXANECARBOXYLATE;methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 4,4-dimethyl-2-oxo-, methyl ester;ghl.PD_Mitscher_leg0.416;Methyl 4,4-dimethyl-2-oxocyclohexancarboxylate;SCHEMBL523318;DTXSID90415649;BHMOBBBEXFZLKW-UHFFFAOYSA-N;MFCD20261465;AS-36130;CS-0010864;FT-0700756;EN300-267939;Methyl 4,4-dimethyl-2-oxo-cyclohexanecarboxylate;methyl 4,4-dimethyl-2-oxocyclohexane carboxylate;A913030;METHYL4,4-DIMETHYL-2-OXOCYCLOHEXANECARBOXYLATE;4,4-dimethyl-2-oxo-cyclohexanecarboxylic acid methyl ester

Suppliers and Price of Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate

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

TRC
Methyl4,4-Dimethyl-2-oxocyclohexanecarboxylate
50mg
$ 120.00

TRC
Methyl4,4-Dimethyl-2-oxocyclohexanecarboxylate
250mg
$ 440.00

Crysdot
Methyl4,4-dimethyl-2-oxocyclohexanecarboxylate 97%
1g
$ 327.00

Crysdot
Methyl4,4-dimethyl-2-oxocyclohexanecarboxylate 97%
5g
$ 982.00

ChemScene
Methyl4,4-dimethyl-2-oxocyclohexane-1-carboxylate
1g
$ 408.00

ChemScene
Methyl4,4-dimethyl-2-oxocyclohexane-1-carboxylate
250mg
$ 204.00

ChemScene
Methyl4,4-dimethyl-2-oxocyclohexane-1-carboxylate
100mg
$ 122.00

Apolloscientific
Methyl4,4-dimethyl-2-oxocyclohexanecarboxylate 95%
250mg
$ 232.00

Apolloscientific
Methyl4,4-dimethyl-2-oxocyclohexanecarboxylate 95%
1g
$ 696.00

AK Scientific
methyl4,4-dimethyl-2-oxocyclohexane-1-carboxylate
1g
$ 558.80

Total 22 raw suppliers

Chemical Property of Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate

Chemical Property:

Boiling Point:245.2±33.0 °C(Predicted)
PKA:12.10±0.40(Predicted)
PSA：43.37000
Density:1.029±0.06 g/cm3(Predicted)
LogP:1.55480
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.109944368
Heavy Atom Count:13
Complexity:230

Purity/Quality:

97% ^*data from raw suppliers

Methyl4,4-Dimethyl-2-oxocyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(C(=O)C1)C(=O)OC)C
Uses Methyl 4,4-Dimethyl-2-oxocyclohexanecarboxylate is used as a reactant in the synthesis of pyrido[3'',2'':4,5]furo[3,2-d]pyrimidines studied as potent phosphodiesterase type 4 (PDE4) inhibitors, which can potentially be used for treatment of asthma and chronic obstructive pulmonary disease (COPD).

Technology Process of Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate

There total 6 articles about Methyl 4,4-dimethyl-2-oxocyclohexanecarboxylate 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: 100.0%

: 32767-46-7
methyl 4,4-dimethyl-2-oxocyclohexancarboxylate

Guidance literature:

Reference yield: 92.0%

: 2979-19-3
3,3-dimethylcyclohexanone

: 616-38-6
carbonic acid dimethyl ester

: 32767-46-7
methyl 4,4-dimethyl-2-oxocyclohexancarboxylate

Guidance literature:: carbonic acid dimethyl ester; With sodium hydride; In tetrahydrofuran; Reflux; Inert atmosphere;

3,3-dimethylcyclohexanone; In tetrahydrofuran; for 4h; Reflux;

Reference yield:

: 2979-19-3
3,3-dimethylcyclohexanone

: 17640-15-2
methyl cyanoformate

: 32767-46-7
methyl 4,4-dimethyl-2-oxocyclohexancarboxylate

Guidance literature:: 3,3-dimethylcyclohexanone; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.25h;

methyl cyanoformate; In tetrahydrofuran; at -78 ℃; for 0.333333h;

With hydrogenchloride; In tetrahydrofuran; water;