Cuscohygrine

Base Information

• Chemical Name: Cuscohygrine
• CAS No.: 454-14-8
• Molecular Formula: C13H24N2O
• Molecular Weight: 224.346
• Hs Code.: 2933990090
• UNII: 93FJ3823VL
• DSSTox Substance ID: DTXSID70894079
• Nikkaji Number: J662.616E
• Wikipedia: Cuscohygrine
• Wikidata: Q3007886
• Metabolomics Workbench ID: 51515
• Mol file: 454-14-8.mol

Synonyms:cuscohygrine;meso-cuscohygrine

Chemical Property of Cuscohygrine

Chemical Property:

• Vapor Pressure: 0.000531mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 312.4 °C at 760 mmHg
• Flash Point: 118 °C
• PSA: 23.55000
• Density: 0.989 g/cm³
• LogP: 1.39990
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Soluble), Ethyl Acetate, Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.188863393
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cuscohygrine(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCCC1CC(=O)CC2CCCN2C
• Isomeric SMILES: CN1CCC[C@@H]1CC(=O)C[C@@H]2CCCN2C
• Uses: It was the main alkaloid found in medicinal plants Datura metel.

Technology Process of Cuscohygrine

There total 5 articles about Cuscohygrine 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:

1,3-bis-(1-methyl-pyrrol-2-yl)-acetone (857419-87-5) → cuscohygrine (454-14-8)

Guidance literature:

With palladium; acetic acid; Hydrogenation;

DOI:10.1007/BF00899426

Reference yield:

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + acetonedicarboxylic acid (542-05-2) → cuscohygrine (454-14-8)

Guidance literature:

With lithium aluminium tetrahydride; anschliessende Decarboxylierung;

DOI:10.1007/BF00900853

Reference yield:

acetonedicarboxylic acid (542-05-2) + 4-methylamino-butyraldehyde (7729-27-3) → cuscohygrine (454-14-8)

Guidance literature:

With aqueous solution of pH 7; Erhitzen des Reaktionsprodukts unter vermindertem Druck;

upstream raw materials:

1-methyl-pyrrolidin-2-one

acetonedicarboxylic acid

4-methylamino-butyraldehyde

1,3-bis-(1-methyl-pyrrol-2-yl)-acetone

Downstream raw materials:

dihydrocuscohygrine

n-Undecane

6-undecanol

Cuscohygrin-dimethoiodid