Methyl 3-methyl-2-oxocyclopentanecarboxylate

Base Information

• Chemical Name: Methyl 3-methyl-2-oxocyclopentanecarboxylate
• CAS No.: 57964-61-1
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• DSSTox Substance ID: DTXSID90406178

Synonyms:57964-61-1;methyl 3-methyl-2-oxocyclopentanecarboxylate;methyl 3-methyl-2-oxocyclopentane-1-carboxylate;3-methyl-2-oxocyclopentanecarboxylic acid methyl ester;SCHEMBL5346726;3-Methyl-2-oxo-cyclopentanecarboxylic acid methyl ester;DTXSID90406178;XLXHNYUBTZYEQX-UHFFFAOYSA-N;methyl3-methyl-2-oxocyclopentanecarboxylate;EN300-103268

Chemical Property of Methyl 3-methyl-2-oxocyclopentanecarboxylate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C1=O)C(=O)OC

Technology Process of Methyl 3-methyl-2-oxocyclopentanecarboxylate

There total 1 articles about Methyl 3-methyl-2-oxocyclopentanecarboxylate 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:

methanol (67-56-1) + 2-Diazo-4-methylcyclohexane-1,3-dione (122571-21-5) → 3-methyl-2-oxo-cyclopentanecarboxylic acid methyl ester (57964-61-1) + (1S,2R)-2-Methyl-5-oxo-cyclopentanecarboxylic acid methyl ester (18067-33-9,80796-76-5,92344-02-0,125515-77-7,131235-63-7,132202-11-0,132295-15-9)

Guidance literature:

With triethylamine; In acetonitrile; for 3h; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1016/S0040-4039(00)99336-5

Reference yield: 70.0%

3-methyl-2-oxo-cyclopentanecarboxylic acid methyl ester (57964-61-1) + propionaldehyde (123-38-6) → 2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; sodium hydrogencarbonate; sodium nitrite; In chloroform; water;

Reference yield: 41.0%

2-methyl-5-oximinocyclopentanone + 3-methyl-2-oxo-cyclopentanecarboxylic acid methyl ester (57964-61-1) + butanone (78-93-3) → 2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; In chloroform; water;

upstream raw materials:

methanol

2-Diazo-4-methylcyclohexane-1,3-dione

Downstream raw materials:

2-Hydroxy-3-methyl-cyclopentanecarboxylic acid methyl ester

2-Methyl-4-(3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-butyric acid methyl ester

2-Methyl-4-[3-methyl-2-(N'-phenyl-hydrazino)-3H-indol-3-yl]-butyric acid methyl ester

2-methoxy-4-methyl-2-cyclohexen-1-ol

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