Cinchotoxine

Base Information

• Chemical Name: Cinchotoxine
• CAS No.: 69-24-9
• Molecular Formula: C19H22N2O
• Molecular Weight: 294.3908
• UNII: Y1XI171984
• DSSTox Substance ID: DTXSID10878414
• Nikkaji Number: J4.864J
• Wikidata: Q27294158
• ChEMBL ID: CHEMBL2069823
• Mol file: 69-24-9.mol

Synonyms:Cinchotoxine;cinchotoxin;Cinchonicine;Cinchonicin;Cinchotoxine [MI];UNII-Y1XI171984;69-24-9;Y1XI171984;1-Propanone, 3-((3R,4R)-3-ethenyl-4-piperidinyl)-1-(4-quinolinyl)-;1-Propanone, 3-(3-ethenyl-4-piperidinyl)-1-(4-quinolinyl)-, (3R-cis)-;SCHEMBL5677040;CHEMBL2069823;DTXSID10878414;9-deoxy-9-oxo-1,8-seco-cinchonine;Q27294158;3-[(3R,4R)-3-Ethenyl-4-piperidinyl]-1-(4-quinolinyl)-1-propanone

Chemical Property of Cinchotoxine

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Melting Point: 58-60°
• Refractive Index: 1.6140 (estimate)
• Boiling Point: 461.7°Cat760mmHg
• Flash Point: 233°C
• PSA: 41.99000
• Density: 1.114g/cm³
• LogP: 3.93820
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 294.173213330
• Heavy Atom Count: 22
• Complexity: 395

Purity/Quality:

98%min ^*data from raw suppliers

CINCHOTOXINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1CNCCC1CCC(=O)C2=CC=NC3=CC=CC=C23
• Isomeric SMILES: C=C[C@H]1CNCC[C@H]1CCC(=O)C2=CC=NC3=CC=CC=C23

Technology Process of Cinchotoxine

There total 8 articles about Cinchotoxine 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:

Cinchonidin (485-71-2) → cinchonicine (69-24-9)

Guidance literature:

With formic acid;

DOI:10.1021/ja02174a016

Reference yield:

Cinchonin (118-10-5) → cinchonicine (69-24-9)

Guidance literature:

With acid;

DOI:10.1021/ja02193a012

Reference yield:

acetic acid (64-19-7,77671-22-8) + Cinchonin (118-10-5) → cinchonicine (69-24-9)

Guidance literature:

Kinetics;

DOI:10.1021/ja02193a012

upstream raw materials:

acetic acid

Cinchonin

glycerol

formic acid

Downstream raw materials:

1-Quinolin-4-yl-3-((3R,4R)-3-vinyl-piperidin-4-yl)-propan-1-ol

Refernces

Lewis Acid-Catalyzed Synthesis of Benzofurans and 4,5,6,7-Tetrahydrobenzofurans from Acrolein Dimer and 1,3-Dicarbonyl Compounds

10.1021/acs.joc.9b00270

The study presents a novel Lewis acid-catalyzed approach for the synthesis of benzofurans and 4,5,6,7-tetrahydrobenzofurans from acrolein dimer and 1,3-dicarbonyl compounds. The method employs N-bromosuccinimide (NBS) as an oxidizing agent and utilizes a combination of Lewis acid catalysts to achieve high yields of 2,3-disubstituted benzofurans. The researchers successfully synthesized two commercial drug molecules, benzbromarone and amiodarone, using this method. The study also explores the substrate scope and optimizes the reaction conditions. Additionally, the authors propose a mechanism involving NBS-assisted auto-tandem catalysis and provide evidence by isolating an intermediate that can be further converted to tetrahydrobenzofurans. This work offers an efficient and practical route to synthesize benzofuran derivatives with potential applications in pharmaceutical chemistry.

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