Puleganic acid

Base Information

• Chemical Name: Puleganic acid
• CAS No.: 528-23-4
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.252
• DSSTox Substance ID: DTXSID901342949
• Nikkaji Number: J38.000H
• Mol file: 528-23-4.mol

Synonyms:Puleganic acid;528-23-4;SCHEMBL2776355;NZTAYUZDCFZKGA-UHFFFAOYSA-N;DTXSID901342949;AKOS004906089;2-isopropyl-5-methylcyclopentanoic acid;EN300-3025894;2-methyl-5-(propan-2-yl)cyclopentane-1-carboxylic acid

Chemical Property of Puleganic acid

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(C1C(=O)O)C(C)C

Technology Process of Puleganic acid

There total 3 articles about Puleganic acid 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: 92.2%

nepetalactone (490-10-8) → dihydronepetalactone (490-09-5,21950-33-4) + optically inactive 2-isopropyl-5-methyl-cyclopentanecarboxylic acid (528-23-4)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In hexanes; at 25 ℃; for 0.17 - 4h; under 26852.7 Torr; Product distribution / selectivity;

Reference yield:

nepetalactone (490-10-8) → nepetalic acid + dihydronepetalactone (490-09-5,21950-33-4) + optically inactive 2-isopropyl-5-methyl-cyclopentanecarboxylic acid (528-23-4)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; at 15 - 25 ℃; under 1575.16 - 62031.2 Torr; Product distribution / selectivity;

Reference yield:

2-isopropylidene-5-methyl-cyclopentanecarboxylic acid (528-24-5) → optically inactive 2-isopropyl-5-methyl-cyclopentanecarboxylic acid (528-23-4) + 1-methyl-3-(1-methylethyl)cyclopentane (53771-88-3)

Guidance literature:

With hydrogen; nickel;

upstream raw materials:

2-isopropylidene-5-methyl-cyclopentanecarboxylic acid

nepetalactone

Downstream raw materials:

(+/-)-trans-2-isopropyl-5-methyl-cyclopentanone-(2,4-dinitro-phenylhydrazone)

((2R)-2r-Isopropyl-5t-methyl-cyclopent-ξ-yl)-methanol