Methyl 1-methyl-2-oxocyclopentanecarboxylate

Base Information

• Chemical Name: Methyl 1-methyl-2-oxocyclopentanecarboxylate
• CAS No.: 30680-84-3
• Deprecated CAS: 126107-08-2
• Molecular Formula: C8H12 O3
• Molecular Weight: 156.181
• Hs Code.: 2918300090
• European Community (EC) Number: 250-287-3
• NSC Number: 266083
• DSSTox Substance ID: DTXSID30885483
• Nikkaji Number: J287.377J
• Mol file: 30680-84-3.mol

Synonyms:30680-84-3;Methyl 1-methyl-2-oxocyclopentanecarboxylate;methyl 1-methyl-2-oxocyclopentane-1-carboxylate;2-Methyl-2-carbomethoxycyclopentanone;Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester;EINECS 250-287-3;Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester, (1R)- (9CI);methyl1-methyl-2-oxocyclopentanecarboxylate;1-methyl-2-oxocyclopentanecarboxylic acid methyl ester;SCHEMBL5352623;DTXSID30885483;MFCD06254239;NSC266083;AKOS003587407;AT21543;NSC 266083;NSC-266083;methyl 1-methyl-2-oxocylopentanecarboxylate;EN300-103269;Methyl 1-methyl-2-oxo-1-cyclopentanecarboxylate;1-Methyl-2-oxo-cyclopentanecarboxylic acid methyl ester;F9995-1302

Chemical Property of Methyl 1-methyl-2-oxocyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 0.171mmHg at 25°C
• Boiling Point: 212.7°C at 760 mmHg
• Flash Point: 84.4°C
• PSA: 43.37000
• Density: 1.105g/cm³
• LogP: 0.91870
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC1=O)C(=O)OC

Technology Process of Methyl 1-methyl-2-oxocyclopentanecarboxylate

There total 11 articles about Methyl 1-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: 100.0%

methyl 2-oxocyclopentane-1-carboxylate (10472-24-9,265317-94-0) + methyl iodide (74-88-4) → methyl 1-methyl-2-oxocyclopentane-1-carboxylate (30680-84-3)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 6h;

DOI:10.1139/v2012-037

Reference yield: 97.0%

methyl bromide (74-83-9) + methyl 2-oxocyclopentane-1-carboxylate (10472-24-9,265317-94-0) → methyl 1-methyl-2-oxocyclopentane-1-carboxylate (30680-84-3)

Guidance literature:

methyl 2-oxocyclopentane-1-carboxylate; With potassium hydroxide; In tetrahydrofuran; at 0 ℃; for 0.5h;

methyl bromide; In tetrahydrofuran; at 0 ℃; for 12h;

Reference yield: 22.0%

methyl 1-iodomethyl-2-oxocyclopentanecarboxylate (145732-40-7) → methyl 1-methyl-2-oxocyclopentane-1-carboxylate (30680-84-3) + 3-oxo-cyclohexanecarboxylic acid methyl ester (21531-47-5,49543-02-4,13148-83-9,1236384-30-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; Heating;

DOI:10.1016/S0040-4020(02)00241-7

upstream raw materials:

methyl 2-oxocyclopentane-1-carboxylate

dimethyl sulfate

methyl iodide

dimethyl(methylthio)sulfonium tetrafluoroborate

Downstream raw materials:

2-benzyl-2-methylcyclopentan-1-one

2-Hydroxy-1-methylcyclopentancarbonsaeure-methylester

tert-butyl (1S,2R,3S,αR)-2-[N-3,4-dimethoxybenzyl-N-(α-methylbenzyl)-amino]-3-methylcyclopentanecarboxylate

3-methyl-cyclopent-1-enecarboxylic acid methyl ester

Refernces

• 1、 -. "Preparation method of 2, 2-dimethyl cyclopentanone". Paragraph 0017. . Retrieved 2021/06/23.
• 2、 -. "SULFONYLCYCLOALKYL CARBOXAMIDE COMPOUNDS AS TRPA1 MODULATORS". Paragraph 0165; 0278; 0279; 0280; 0281; 0282. . Retrieved 2018/02/28.