Methyl 1-methyl-4-oxocyclohexanecarboxylate

Base Information

• Chemical Name: Methyl 1-methyl-4-oxocyclohexanecarboxylate
• CAS No.: 37480-41-4
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• Hs Code.: 2918300090
• European Community (EC) Number: 838-715-2
• DSSTox Substance ID: DTXSID60502853
• Wikidata: Q82356221
• Mol file: 37480-41-4.mol

Synonyms:methyl 1-methyl-4-oxocyclohexanecarboxylate;37480-41-4;Methyl 1-methyl-4-oxocyclohexane-1-carboxylate;MFCD17013063;methyl 1-methyl-4-oxo-1-cyclohexanecarboxylate;1-Methyl-4-oxocyclohexanecarboxylic acidmethyl ester;SCHEMBL3880676;DTXSID60502853;DNTGELMQRSNFPO-UHFFFAOYSA-N;AKOS016845096;CS-W022775;DS-7102;methyl1-methyl-4-oxocyclohexanecarboxylate;SY031142;EN300-316382;P11995;A874089;J-521781;1-methyl-4-oxocyclohexanecarboxylic acid methyl ester;Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester

Chemical Property of Methyl 1-methyl-4-oxocyclohexanecarboxylate

Chemical Property:

• PSA: 43.37000
• LogP: 1.30880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-Methyl-4-oxocyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=O)CC1)C(=O)OC

Technology Process of Methyl 1-methyl-4-oxocyclohexanecarboxylate

There total 5 articles about Methyl 1-methyl-4-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: 95.4%

methyl 1-methyl-4-oxo-2-cyclohexene-1-carboxylate (1523-89-3) → methyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (37480-41-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 760 Torr;

DOI:10.1248/cpb.32.2267

Reference yield: 95.4%

→ methyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (37480-41-4)

Guidance literature:

Reference yield: 24.0%

methyl 1-methylcyclohexanecarboxylate (825-04-7) → methyl 1-methyl-3-oxocyclohexane-1-carboxylate (56294-19-0) + methyl 1-methyl-4-oxo-1-cyclohexanecarboxylate (37480-41-4)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; oxygen; tetramethylammonium tetrafluoroborate; C₁₁H₁₄F₃N₂O⁽¹⁺⁾*BF₄^(1-); sodium hydrogencarbonate; In acetonitrile; Reagent/catalyst; Solvent; Electrochemical reaction;

DOI:10.1021/jacs.1c03780

upstream raw materials:

diazomethane

1-methyl-4-oxo-cyclohexanecarboxylic acid

4-methoxy-1-methyl-cyclohex-3-enecarboxylic acid methyl ester

methyl 1-methyl-4-oxo-2-cyclohexene-1-carboxylate

Downstream raw materials:

1-methyl-4-oxo-cyclohexanecarboxylic acid

1-methyl-4-morpholin-4-yl-cyclohex-3-enecarboxylic acid methyl ester

c-4-hydroxy-1-methyl-r-1-cylohexanecarboxylic acid

8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid