Kolavenic acid

Base Information

Chemical Name:Kolavenic acid
CAS No.:25436-90-2
Molecular Formula:C₂₀H₃₂O₂
Molecular Weight:304.473
Hs Code.:
Nikkaji Number:J34.240H
Wikidata:Q104397894
Metabolomics Workbench ID:123582
ChEMBL ID:CHEMBL1517738
Mol file:25436-90-2.mol

Synonyms:kolavenic acid

Suppliers and Price of Kolavenic acid

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
Packaging
price

Total 4 raw suppliers

Chemical Property of Kolavenic acid

Chemical Property:

Vapor Pressure:4.34E-08mmHg at 25°C
Boiling Point:416.1°C at 760 mmHg
Flash Point:310.8°C
PSA：37.30000
Density:0.968g/cm³
LogP:5.59630
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:304.240230259
Heavy Atom Count:22
Complexity:502

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2(C(C1(C)CCC(=CC(=O)O)C)CCC=C2C)C
Isomeric SMILES:C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CCC=C2C)C

Technology Process of Kolavenic acid

There total 7 articles about Kolavenic 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:

: 89162-97-0
(R)-(+)-3,4-dimethyl-2-cyclohexen-1-one

: 25436-90-2,25906-81-4
kolavenic acid

Guidance literature:: Multi-step reaction with 7 steps

2: 2.) L-Selectride / 1.) benzene-toluene; 2.) THF

3: 1.) Me₂CHCMe₂BH₂, H₂O₂, NaOH; 2.) POCl₃ / 1.) THF; 2.) pyridine

5: 71 percent / dimethylsulfoxide

6: 31 percent / ZrCl2(η-C5H5)2

7: lithium hydroxide / 1,2-dimethoxy-ethane; H₂O / Ambient temperature

With lithium hydroxide; sodium hydroxide; Thexylboran; dihydrogen peroxide; L-Selectride; trichlorophosphate; zirconocene dichloride; In 1,2-dimethoxyethane; water; dimethyl sulfoxide;
DOI:10.1039/c39870000358

Reference yield:

: (3R,4S,4aR,8aR)-3,4,8,8a-Tetramethyl-4-prop-2-ynyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene

: 25436-90-2,25906-81-4
kolavenic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 31 percent / ZrCl2(η-C5H5)2

2: lithium hydroxide / 1,2-dimethoxy-ethane; H₂O / Ambient temperature

With lithium hydroxide; zirconocene dichloride; In 1,2-dimethoxyethane; water;
DOI:10.1039/c39870000358

Reference yield:

: 112358-88-0
(3R,4S,4aR,8aR)-4-(2-Bromo-ethyl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene

: 25436-90-2,25906-81-4
kolavenic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / dimethylsulfoxide

2: 31 percent / ZrCl2(η-C5H5)2

3: lithium hydroxide / 1,2-dimethoxy-ethane; H₂O / Ambient temperature

With lithium hydroxide; zirconocene dichloride; In 1,2-dimethoxyethane; water; dimethyl sulfoxide;
DOI:10.1039/c39870000358