Methyl 1-methyl-3-oxocyclohexane-1-carboxylate

Base Information

• Chemical Name: Methyl 1-methyl-3-oxocyclohexane-1-carboxylate
• CAS No.: 56294-19-0
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• DSSTox Substance ID: DTXSID70503134
• Mol file: 56294-19-0.mol

Synonyms:Methyl 1-methyl-3-oxocyclohexane-1-carboxylate;56294-19-0;SCHEMBL9631574;DTXSID70503134

Chemical Property of Methyl 1-methyl-3-oxocyclohexane-1-carboxylate

Chemical Property:

• 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: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC(=O)C1)C(=O)OC

Technology Process of Methyl 1-methyl-3-oxocyclohexane-1-carboxylate

There total 22 articles about Methyl 1-methyl-3-oxocyclohexane-1-carboxylate 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%

sodium methylate (124-41-4) + 7,7,-dichloro-6-methylbicyclo<4.1.0>heptan-2-one (89467-88-9,94052-99-0) → methyl 1-methyl-3-oxocyclohexane-1-carboxylate (56294-19-0)

Guidance literature:

In methanol;

DOI:10.1039/c39830001453

Reference yield: 90.0%

3-trimethoxymethyl-3-methylcyclohexanone (97006-54-7) → methyl 1-methyl-3-oxocyclohexane-1-carboxylate (56294-19-0)

Guidance literature:

With hydrogenchloride; for 0.0833333h; Heating;

Reference yield: 85.3%

methyl t-3-hydroxy-1-methyl-r-1-cyclohexanecarboxylate (87787-01-7,87787-07-3) → methyl 1-methyl-3-oxocyclohexane-1-carboxylate (56294-19-0)

Guidance literature:

With jones reagent; In acetone; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.32.2267

upstream raw materials:

methanol

1-methyl-3-oxocyclohexane-1-carbonitrile

1-Methyl-3-oxo-cyclohexan-1-carbonsaeure

2,2,7-Trimethyl-5-oxa-2-sila-bicyclo[5.3.1]undec-1⁽¹⁰⁾-en-6-one

Downstream raw materials:

1-t-3-dimethyl-c-3-hydroxymethyl-r-1-cyclohexanol

1-methyl-5-oxocyclohexa-3-ene carboxylic acid

4-(3,3-ethylenedioxy-1-methylcyclohexylmethoxy)nitrobenzene

4-(7-Methyl-1,4-dioxa-spiro[4.5]dec-7-ylmethoxy)-phenylamine