(1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester

Base Information

Chemical Name:(1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester
CAS No.:69881-58-9
Molecular Formula:C13H20O4
Molecular Weight:240.299
Hs Code.:
DSSTox Substance ID:DTXSID80448486
Nikkaji Number:J934.575B
Wikidata:Q82267497

Synonyms:CTK1J0646;69881-58-9;DTXSID80448486;(1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester

Suppliers and Price of (1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl 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

Total 1 raw suppliers

Chemical Property of (1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:240.13615911
Heavy Atom Count:17
Complexity:321

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1(CCCCC1=O)CCC(=O)C
Isomeric SMILES:CCOC(=O)[C@@]1(CCCCC1=O)CCC(=O)C

Technology Process of (1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester

There total 30 articles about (1S)-1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl 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%

: 78-94-4,25038-87-3
methyl vinyl ketone

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 69881-57-8,69881-58-9,111136-34-6,61771-80-0
2-oxo-1-(3-oxo-butyl)-cyclohexanecarboxylic acid ethyl ester

Guidance literature:: Amberlyst A-26 ion-exchange resin hydroxyl form; In water; at 25 ℃; for 3h;

Reference yield: 95.0%

: 151-50-8
potassium cyanide

: 78-94-4,25038-87-3
methyl vinyl ketone

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 69881-57-8,69881-58-9,111136-34-6,61771-80-0
2-oxo-1-(3-oxo-butyl)-cyclohexanecarboxylic acid ethyl ester

Guidance literature:: 1-azoniatricyclo<4.4.4.0^1,6>tetradecane hydroxide; In dichloromethane; at 25 ℃; for 1h;

Reference yield: 88.0%

: 78-94-4,25038-87-3
methyl vinyl ketone

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 69881-58-9
(-)-(S)-2-Oxo-1-(3-oxo-1-butyl)-cyclohexancarbonsaeureaethylester

Guidance literature:: methyl vinyl ketone; With C₆₀H₃₆LaO₆^(3-)*3C₅H₁₃N₃*3H⁽¹⁺⁾*0.5C₅H₁₂; sodium iodide; In tetrahydrofuran; water; Inert atmosphere; Schlenk technique;

ethyl 2-oxocyclohexane carboxylate; In tetrahydrofuran; water; for 28h; Inert atmosphere; Schlenk technique;
DOI:10.1021/ja502568g