- Enantioselective Synthesis of Quaternary Carbon Stereogenic Centers through the Primary Amine-Catalyzed Michael Addition Reaction of α-Substituted Cyclic Ketones at High PressureHorinouchi, Ryo; Kamei, Kouhei; Watanabe, Riki; Hieda, Nobushige; Tatsumi, Naoki; et al, European Journal of Organic Chemistry, 2015, 2015(20), 4457-4463
Cas no 53068-90-9 (Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester)
53068-90-9 structure
Product Name:Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester
CAS No:53068-90-9
MF:C11H18O3
MW:198.258823871613
CID:358119
PubChem ID:3322754
Update Time:2025-04-19
Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester
- methyl 3-(3-methyl-2-oxocyclohexyl)propanoate
- 6-Methyl-2-(2-methoxycarbonyl-aethyl)-cyclohexanon
- methyl 3-(3-methyl-2-oxocyclohexyl)propionate
- DTXSID50391450
- 53068-90-9
- AKOS024325040
- SCHEMBL9013962
-
- Inchi： 1S/C11H18O3/c1-8-4-3-5-9(11(8)13)6-7-10(12)14-2/h8-9H,3-7H2,1-2H3
- InChI Key： AMBRDGCMBMLDHE-UHFFFAOYSA-N
- SMILES： O=C1C(C)CCCC1CCC(=O)OC
Computed Properties
- Exact Mass: 198.12600
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 1.94490
Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: (-)-1-(1-Naphthyl)ethylamine Solvents: Tetrahydrofuran ; 2 d, 1 GPa, rt
Reference
Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester Raw materials
Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester Preparation Products
Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
53068-90-9 (Cyclohexanepropanoic acid, 3-methyl-2-oxo-, methyl ester) Related Products
- 24851-98-7(Methyl dihydrojasmonate)
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 13672-64-5(Methyl 2-(2-oxocyclohexyl)acetate)
- 13148-83-9(Methyl 3-oxocyclohexanecarboxylate)
- 17607-00-0(Methyl 4-oxocycloheptanecarboxylate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 24731-17-7(Ethyl 2-(2-oxocyclohexyl)acetate)
- 39265-95-7(Methyl 3-acetyl-4-oxopentanoate)
- 13984-53-7(Methyl 4-acetyl-5-oxohexanoate)
- 2630-39-9((-) Methyl Dihydrojasmonate)
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