CID 20340755

Base Information

• Chemical Name: CID 20340755
• CAS No.: 72822-03-8
• Molecular Formula: C₁₉H₂₆N₂O₂S
• Molecular Weight: 346.494
• European Community (EC) Number: 687-709-4
• Mol file: 72822-03-8.mol

Synonyms:pergolide sulfone

Chemical Property of CID 20340755

Chemical Property:

• Vapor Pressure: 1.35E-13mmHg at 25°C
• Melting Point: 190-193?C
• Boiling Point: 583.3°C at 760 mmHg
• Flash Point: 306.6°C
• PSA: 61.55000
• Density: 1.208g/cm³
• LogP: 3.97140
• Storage Temp.: -20°C Freezer
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 346.17149925
• Heavy Atom Count: 24
• Complexity: 558

Purity/Quality:

97% ^*data from raw suppliers

PergolideSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CS(=O)(=O)C
• Uses: A metabolite of Pergolide, a dopaminergic agonist that also decrease plasma prolactin concentrations. An antiparkinsonian agent.

Technology Process of CID 20340755

There total 3 articles about CID 20340755 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:

sodium methansulfinate (20277-69-4) + D-6-propyl-8β-mesyloxymethylergoline (72821-83-1) → pergolide sulfone (72822-03-8)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

pergolide (66104-22-1) → pergolide sulfone (72822-03-8)

Guidance literature:

With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid; In methanol; at 27 ℃; for 96h;

DOI:10.1002/jps.2600720704

Reference yield:

→ pergolide sulfone (72822-03-8)

Guidance literature:

upstream raw materials:

pergolide

sodium methansulfinate

D-6-propyl-8β-mesyloxymethylergoline