1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium

Base Information

• Chemical Name: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium
• CAS No.: 6746-13-0
• Molecular Formula: C₁₉H₂₂N₂O₂
• Molecular Weight: 310.396
• DSSTox Substance ID: DTXSID30986727
• Wikidata: Q82974758

Synonyms:6746-13-0;DTXSID30986727;1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-(2,5-dichlorobenzene-1-sulfonyl)piperazin-1-ium

Chemical Property of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium

Chemical Property:

• Vapor Pressure: 1.27E-12mmHg at 25°C
• Boiling Point: 561.2°Cat760mmHg
• Flash Point: 293.2°C
• Density: g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 429.0442587
• Heavy Atom Count: 27
• Complexity: 609

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

Technology Process of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium

There total 2 articles about 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium 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:

→ 17,18-epoxy-cur-19-en-17-ol (466-85-3,6746-13-0,38570-01-3)

Guidance literature:

4-(Polystyrylcarbonylmethyl)-Wieland-Grunlich-Aldehyd-chlorid, NaOCH3/THF/Isoamylnitrit;

Reference yield:

→ Wieland - Gumlich aldehyde (6746-13-0)

Guidance literature:

23-Isonitrosostrychnin, SOCl2;

DOI:10.1002/jps.2600670213

Reference yield:

malonic acid (141-82-2) + 17,18-epoxy-cur-19-en-17-ol (466-85-3,6746-13-0,38570-01-3) → strychnidin-10-one (57-24-9) + (+)-Strychnine

Guidance literature:

With sodium acetate; acetic anhydride; acetic acid; at 110 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3765(20000218)6:4<655::AID-CHEM655>3.0.CO;2-6

Downstream raw materials:

strychnidin-10-one

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