Avarol

Base Information

Chemical Name:Avarol
CAS No.:55303-98-5
Molecular Formula:C21H30 O2
Molecular Weight:314.468
Hs Code.:
European Community (EC) Number:611-252-1
UNII:KZX416VN2B
DSSTox Substance ID:DTXSID80203850
Nikkaji Number:J12.828G
Wikipedia:Avarol
Wikidata:Q27282525
Metabolomics Workbench ID:135863
ChEMBL ID:CHEMBL459814
Mol file:55303-98-5.mol

Synonyms:avarol;neoavarol

Suppliers and Price of Avarol

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

Usbiological
Avarol
1mg
$ 355.00

TRC
Avarol
2.5mg
$ 210.00

Adipogen Life Sciences
Avarol ≥97%(HPLC)
1 mg
$ 125.00

Total 6 raw suppliers

Chemical Property of Avarol

Chemical Property:

Vapor Pressure:1.07E-08mmHg at 25°C
Melting Point:149-150℃ (chloroform )
Boiling Point:449.5°C at 760 mmHg
Flash Point:200°C
PSA：40.46000
Density:1.055g/cm³
LogP:5.43910
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:314.224580195
Heavy Atom Count:23
Complexity:471

Purity/Quality:

98% ^*data from raw suppliers

Avarol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
Isomeric SMILES:C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
Uses Avarol is a cytostatic agent which has potent antileukemic activity.

Technology Process of Avarol

There total 14 articles about Avarol 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: 92.0%

: 55303-99-6
avarone

: 55303-98-5
avarol

Guidance literature:: With sodium dithionite; In diethyl ether;
DOI:10.1039/CC9960002717

Reference yield: 84.0%

: 252577-53-0
2-(Pyridin-2-ylsulfanyl)-3-((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-ylmethyl)-[1,4]benzoquinone

: 55303-98-5
avarol

Guidance literature:: With nickel; In dichloromethane; at 45 ℃; for 0.166667h;
DOI:10.1002/(SICI)1521-3773(19991018)38:20<3089::AID-ANIE3089>3.0.CO;2-W

Reference yield:

: 184485-50-5
(-)-(1R,4aS,8aS)-1β,2β,4aβ-trimethyl-1α-[(2',5'-dimethoxyphenyl)methyl]-5-exo-methylene-(3H)-1,4,4a,5,6,7,8,8a-octahydronaphthalene

: 55303-98-5
avarol

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / RhCl₃ / ethanol

2: 40 percent / aq. CAN / tetrahydrofuran

3: 92 percent / aq. Na₂S₂O₄ / diethyl ether

With sodium dithionite; ammonium cerium(IV) nitrate; rhodium(III) chloride; In tetrahydrofuran; diethyl ether; ethanol;
DOI:10.1039/CC9960002717