Stemodinone

Base Information

• Chemical Name: Stemodinone
• CAS No.: 41943-80-0
• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.473
• Nikkaji Number: J612.866A
• Wikidata: Q105171688
• Mol file: 41943-80-0.mol

Synonyms:stemodinone

Chemical Property of Stemodinone

Chemical Property:

• Vapor Pressure: 1.3E-08mmHg at 25°C
• Boiling Point: 414.7°C at 760 mmHg
• Flash Point: 177°C
• Density: 1.08g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 304.240230259
• Heavy Atom Count: 22
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)CC2(C1CCC3C24CCC(C(C3)C4)(C)O)C)C
• Isomeric SMILES: C[C@@]1(CC[C@@]23C[C@@H]1C[C@@H]2CC[C@@H]4[C@@]3(CC(=O)CC4(C)C)C)O

Technology Process of Stemodinone

There total 31 articles about Stemodinone 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: 80.0%

C20H31BrO2 → (+/-)-stemodinone (41943-80-0,76739-57-6)

Guidance literature:

With ammonium chloride; zinc; In diethyl ether; at 23 ℃;

DOI:10.1021/ja00545a060

Reference yield: 25.0%

methyllithium (917-54-4) + (+/-)-19-nor-stemod-3-en-2-one → (+/-)-stemodinone (41943-80-0,76739-57-6)

Guidance literature:

methyllithium; With copper(l) iodide; In diethyl ether; hexane; at -78 - 0 ℃;

With chloro-trimethyl-silane; In diethyl ether; hexane; at -78 ℃; for 0.1h;

(+/-)-19-nor-stemod-3-en-2-one; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; hexane; at -78 - -20 ℃; Further stages.;

DOI:10.1021/jo015808w

Reference yield:

Stemodin (41943-79-7) → stemodinone (41943-80-0)

Guidance literature:

With jones reagent; In acetone; at -10 - 20 ℃; for 0.5h;

DOI:10.1016/S0031-9422(00)00403-9

upstream raw materials:

Stemodin

methyllithium

(4aS,8aS)-5,5,8a-Trimethyl-2-oxo-1,2,3,4,4a,5,8,8a-octahydro-naphthalene-1-carbaldehyde

Downstream raw materials:

Stemodin

2α,7α,13-trihydroxystemodane

(+/-)-stemodin

C₂₀H₃₄O₂