Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester

Base Information

Chemical Name:Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester
CAS No.:61777-25-1
Molecular Formula:C11H18O3
Molecular Weight:198.2588
Hs Code.:2918300090
DSSTox Substance ID:DTXSID10886458
Nikkaji Number:J429.432G
Mol file:61777-25-1.mol

Synonyms:61777-25-1;Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester;2-Butyl-2-carbomethoxycyclopentanone;DTXSID10886458;1-Butyl-2-oxocyclopentanecarboxylic acid methyl ester

Suppliers and Price of Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester

Chemical Property:

Vapor Pressure:0.00735mmHg at 25°C
Boiling Point:269.2°Cat760mmHg
Flash Point:112.5°C
PSA：43.37000
Density:1.033g/cm³
LogP:2.08900
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:198.125594432
Heavy Atom Count:14
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1(CCCC1=O)C(=O)OC

Technology Process of Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester

There total 6 articles about Cyclopentanecarboxylic acid, 1-butyl-2-oxo-, methyl ester 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: 70.0%

: 109-65-9
1-bromo-butane

: 10472-24-9,265317-94-0
methyl 2-oxocyclopentane-1-carboxylate

: 61777-25-1
methyl 1-butyl-2-oxocyclopentane-1-carboxylate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; for 3h; Ambient temperature;
DOI:10.1021/ja00216a033

Reference yield: 60.0%

: 61114-31-6
methyl 1-(4-bromobutyl)-2-oxocyclopentane-1-carboxylate

: 61777-25-1
methyl 1-butyl-2-oxocyclopentane-1-carboxylate

: 112818-20-9
methyl 5-oxocyclononane-1-carboxylate

Guidance literature:: With n-butyl tin hydride; 2,2'-azobis(isobutyronitrile); In benzene; for 3h; Heating;
DOI:10.1021/ja00216a033

Reference yield:

: 10472-24-9,265317-94-0
methyl 2-oxocyclopentane-1-carboxylate

: 61777-25-1
methyl 1-butyl-2-oxocyclopentane-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 39 percent / NaH / dimethylformamide / 14 h / Ambient temperature

2: 78 percent / AIBN, BuSnH / benzene / 3 h / Heating

With n-butyl tin hydride; 2,2'-azobis(isobutyronitrile); sodium hydride; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/ja00216a033