Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate

Base Information

Chemical Name:Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
CAS No.:59373-32-9
Molecular Formula:C10H14O4
Molecular Weight:198.219
Hs Code.:2918300090
European Community (EC) Number:261-720-0
DSSTox Substance ID:DTXSID50974787
Nikkaji Number:J308.673I
Mol file:59373-32-9.mol

Synonyms:Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate;59373-32-9;methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate;EINECS 261-720-0;METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE, 97;Maybridge1_006923;HMS561C15;SCHEMBL9851192;DTXSID50974787;BBL028288;MFCD00154564;STL372982;AKOS005143057;VS-08709;CS-0319746;FT-0628403;methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-car-boxylate;2,2-Dimethyl-4,6-dioxocyclohexanecarboxylic acid methyl ester;METHYL2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE,97

Suppliers and Price of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate

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
methyl2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
10mg
$ 45.00

American Custom Chemicals Corporation
METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE 95.00%
10G
$ 2367.75

American Custom Chemicals Corporation
METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE 95.00%
5G
$ 1547.70

American Custom Chemicals Corporation
METHYL 2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECARBOXYLATE 95.00%
1G
$ 1004.85

Total 6 raw suppliers

Chemical Property of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate

Chemical Property:

Vapor Pressure:0.00113mmHg at 25°C
Melting Point:94oC
Boiling Point:300.3°Cat760mmHg
PKA:4.18±0.70(Predicted)
Flash Point:130.5°C
PSA：60.44000
Density:1.129g/cm³
LogP:0.73380
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:198.08920892
Heavy Atom Count:14
Complexity:291

Purity/Quality:

99% ^*data from raw suppliers

methyl2,2-dimethyl-4,6-dioxocyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)CC(=O)C1C(=O)OC)C

Technology Process of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate

There total 2 articles about Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate 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:

: 141-79-7
4-methyl-pent-3-en-2-one

: 108-59-8
malonic acid dimethyl ester

: 59373-32-9
methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate

Guidance literature:: With sodium methylate; Yield given. Multistep reaction; 1.) methanol, 15 min, 2.) methanol, a.) RT, 30 min, b.) reflux, 12 h;
DOI:10.1021/jm00066a003

Reference yield:

: 141-79-7
4-methyl-pent-3-en-2-one

: 18424-76-5
dimethyl malonate sodium salt

: 59373-32-9
methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate

Guidance literature:: With methanol;

Reference yield: 85.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 1258211-29-8
5'-[(2-naphthylamino)methyl]-2'-hydroxy[1,1':3',1]terphenyl

: 59373-32-9
methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate

: 1258211-33-4
spiro[{1-(2'hydroxyl[1,1':3',1'']terphenyl-5'-ylmethyl)-1,2,3,4-tetrahydro-1-azaphenanthrene}-3,1'-(4',4'-dimethyl-3'-methoxycarbonyl-2',6'-dioxocyclohexane)]

Guidance literature:: formaldehyd; 5'-[(2-naphthylamino)methyl]-2'-hydroxy[1,1':3',1"]terphenyl; In ethanol; Reflux;

methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate; In ethanol; regiospecific reaction; Reflux;
DOI:10.1134/S1070428010090101