2-Isopentyl-1,3-cyclopentanedione

Base Information

Chemical Name:2-Isopentyl-1,3-cyclopentanedione
CAS No.:827-03-2
Molecular Formula:C₁₀H₁₆O₂
Molecular Weight:168.236
Hs Code.:
DSSTox Substance ID:DTXSID901278277
Nikkaji Number:J145.030A
Mol file:827-03-2.mol

Synonyms:2-Isopentyl-1,3-cyclopentanedione;1,3-Cyclopentanedione, 2-isopentyl-;827-03-2;DTXSID901278277;2-(3-Methylbutyl)-1,3-cyclopentanedione

Suppliers and Price of 2-Isopentyl-1,3-cyclopentanedione

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 5 raw suppliers

Chemical Property of 2-Isopentyl-1,3-cyclopentanedione

Chemical Property:

Melting Point:138 °C
PSA：34.14000
LogP:1.97080
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:168.115029749
Heavy Atom Count:12
Complexity:178

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCC1C(=O)CCC1=O

Technology Process of 2-Isopentyl-1,3-cyclopentanedione

There total 2 articles about 2-Isopentyl-1,3-cyclopentanedione 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: 90.0%

: 3859-41-4
1,3-cyclopentadione

: 590-86-3
isovaleraldehyde

: C₁₆H₂₂O₄

: 827-03-2
2-Isopentyl-1,3-cyclopentandion

Guidance literature:: With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline; In dichloromethane; at 25 ℃; for 0.5h;
DOI:10.1039/b807999d

Reference yield:

: 827-03-2
2-Isopentyl-1,3-cyclopentandion

Guidance literature:: 6-Methyl-heptanon-(2), 1. Oxalsaeure-diethylester, (0grad), ethanol. Na-Methylat, (Siedetemp., 1.5 Std.), 2. wss. H2SO4, (Siedetemp., 1.5 Std.), (bei pH 4.5 mit Semicarbazidhydrochlorid, 3. Na-Methylat, Decanol-(1), (205-215grad, 3 Std.);

upstream raw materials:

1,3-cyclopentadione

isovaleraldehyde

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