Cusparine

Base Information

• Chemical Name: Cusparine
• CAS No.: 529-92-0
• Molecular Formula: C19H17NO3
• Molecular Weight: 307.349
• Hs Code.: 2934999090
• UNII: 2O6Z9S15DF
• DSSTox Substance ID: DTXSID70331994
• Nikkaji Number: J6.693A
• Wikidata: Q5795071
• Metabolomics Workbench ID: 69496
• ChEMBL ID: CHEMBL456954
• Mol file: 529-92-0.mol

Synonyms:Cusparine;Cusparine [MI];529-92-0;UNII-2O6Z9S15DF;2O6Z9S15DF;4-Methoxy-2-(3,4-methylenedioxyphenethyl)quinoline;2-(2-(1,3-Benzodioxol-5-yl)ethyl)-4-methoxyquinoline;CHEBI:3964;CHEMBL456954;Quinoline, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-;C10655;AKOS000277515;AC1L9DLB;SureCN952682;SCHEMBL952682;DTXSID70331994;Q5795071;2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-quinoline

Chemical Property of Cusparine

Chemical Property:

• Vapor Pressure: 7.48E-07mmHg at 25°C
• Melting Point: 92°; mp 110-122°
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 419.3°Cat760mmHg
• PKA: 6.71±0.50(Predicted)
• Flash Point: 151.5°C
• PSA: 40.58000
• Density: 1.252g/cm³
• LogP: 3.75730
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 307.12084340
• Heavy Atom Count: 23
• Complexity: 391

Purity/Quality:

98%min ^*data from raw suppliers

CUSPARINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4

Technology Process of Cusparine

There total 2 articles about Cusparine 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:

→ cusparine (529-92-0)

Guidance literature:

With palladium on activated charcoal; acetic acid; Hydrogenation;

Reference yield:

2-(2-benzo[1,3]dioxolo-5-yl-vinyl)-4-methoxy-quinoline (124902-96-1) + acetic acid (64-19-7,77671-22-8) → cusparine (529-92-0)

Guidance literature:

Hydrogenation;

Reference yield:

cusparine (529-92-0) → kinurenic acid (492-27-3)

Guidance literature:

With nitric acid;

upstream raw materials:

2-(2-benzo[1,3]dioxolo-5-yl-vinyl)-4-methoxy-quinoline

acetic acid

Downstream raw materials:

kinurenic acid

3,4-Dihydroxybenzoic acid

Refernces

Direct aminoalkylation of arenes, heteroarenes, and alkenes via Ni-catalyzed Negishi cross-coupling reactions

10.1021/jo201630e

The research focuses on the development of a direct aminoalkylation method for the functionalization of arenes, heteroarenes, and alkenes through Ni-catalyzed Negishi cross-coupling reactions. The purpose of this study was to introduce aminoalkyl residues, a common functionality in biologically and pharmacologically active compounds, into various chemical structures in a simple, direct, and convenient manner. The researchers successfully developed a general method using primary and secondary aminoalkylzinc bromides, which are readily available from corresponding aminoalkyl chlorides, with aryl, heteroaryl, and alkenyl electrophiles. The conclusions of the study highlighted the efficiency of this method in the one-pot aminoalkylation process, demonstrating its potential in the synthesis of biologically active molecules. Key chemicals used in the process included aminoalkylzinc compounds, various halides and triflates as electrophiles, and nickel catalysts, along with phosphine ligands such as DPE-Phos, which played a crucial role in the cross-coupling reactions. The study also reported a short total synthesis of two natural products, (()-galipinine and (()-cusparine, showcasing the utility of the developed cross-coupling method.

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