Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester

Base Information

Chemical Name:Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester
CAS No.:74851-58-4
Molecular Formula:C12H20O3
Molecular Weight:212.289
Hs Code.:
DSSTox Substance ID:DTXSID70447261
Nikkaji Number:J1.346.397B

Synonyms:74851-58-4;Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester;DTXSID70447261;METHYL 5-TERT-BUTYL-2-OXOCYCLOHEXANE-1-CARBOXYLATE;AKOS017565311;EN300-1127030;2-Oxo-5-tert-butylcyclohexanecarboxylic acid methyl ester

Suppliers and Price of Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl 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

American Custom Chemicals Corporation
METHYL 5-TERT-BUTYL-2-OXOCYCLOHEXANECARBOXYLATE 95.00%
5MG
$ 504.44

Total 0 raw suppliers

Chemical Property of Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester

Chemical Property:

PSA：43.37000
LogP:2.19090
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:212.14124450
Heavy Atom Count:15
Complexity:263

Purity/Quality:: METHYL 5-TERT-BUTYL-2-OXOCYCLOHEXANECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1CCC(=O)C(C1)C(=O)OC

Technology Process of Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester

There total 4 articles about Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl 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: 100.0%

: 98-53-3
4-tercbutyl-cyclohexanone

: 616-38-6
carbonic acid dimethyl ester

: 74851-58-4
5-tert-butyl-2-oxocyclohexanecarboxylic acid methyl ester

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 75 ℃;
DOI:10.1021/ol503541z

Reference yield:

: 684-93-5
1-methyl-1-nitrosourea

: 42031-70-9
5-tert-butyl-2-oxocyclohexanecarboxylic acid

: 74851-58-4
5-tert-butyl-2-oxocyclohexanecarboxylic acid methyl ester

Guidance literature:: With potassium hydroxide; In diethyl ether; at 0 ℃;
DOI:10.1021/jo00172a011

Reference yield:

: 98-53-3
4-tercbutyl-cyclohexanone

: 74851-58-4
5-tert-butyl-2-oxocyclohexanecarboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) diisopropylamine, 1,10-phenanthroline, n-BuLi / 1.) ether, 1 deg C, 1 h, 2.) 1 deg C, 35 min, 1 deg C to room temp. 30 min

2: 40percent aq. KOH / diethyl ether / 0 °C

With potassium hydroxide; n-butyllithium; 1,10-Phenanthroline; diisopropylamine; In diethyl ether;
DOI:10.1021/jo00172a011