(4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Base Information

Chemical Name:(4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CAS No.:13476-32-9
Molecular Formula:C₂₀H₂₈O₂
Molecular Weight:300.441
Hs Code.:
DSSTox Substance ID:DTXSID901112693
Nikkaji Number:J1.357.444H
Wikidata:Q104396429
Mol file:13476-32-9.mol

Synonyms:7-Oxototarol;DTXSID901112693;13-Hydroxytotara-8,11,13-trien-7-one;(4aS,10aS)-2,3,4,4a,10,10a-Hexahydro-7-hydroxy-1,1,4a-trimethyl-8-(1-methylethyl)-9(1H)-phenanthrenone;(4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one;(4bS,8aS)-4b,5,6,7,8,8a-Hexahydro-2-hydroxy-4b,8,8-trimethyl-1-isopropylphenanthrene-10(9H)-one;13476-32-9

Suppliers and Price of (4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

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 1 raw suppliers

Chemical Property of (4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Chemical Property:

PSA：37.30000
LogP:5.18600
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:300.208930132
Heavy Atom Count:22
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C=CC2=C1C(=O)CC3C2(CCCC3(C)C)C)O
Isomeric SMILES:CC(C)C1=C(C=CC2=C1C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O

Technology Process of (4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

There total 7 articles about (4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one 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: 83.0%

: 1048-23-3
13-acetoxytotara-8,11,13-trien-7-one

: 13476-32-9
7-oxototarol

Guidance literature:: With sodium hydride; In methanol; at 20 ℃; for 14h;
DOI:10.1016/S0968-0896(00)00096-1

Reference yield:

: 15340-82-6
13-acetoxytotara-8,11,13-triene

: 13476-32-9
7-oxototarol

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / NBS; CaCO₃ / tetrahydrofuran; H₂O / 1 h / 20 °C / Irradiation

2: 83 percent / NaH / methanol / 14 h / 20 °C

With N-Bromosuccinimide; sodium hydride; calcium carbonate; In tetrahydrofuran; methanol; water; 1: Oxidation / 2: Deacetylation;
DOI:10.1016/S0968-0896(00)00096-1