Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

Base Information

• Chemical Name: Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate
• CAS No.: 110826-59-0
• Molecular Formula: C12H16ClNO6S
• Molecular Weight: 337.7765
• DSSTox Substance ID: DTXSID70149399
• Mol file: 110826-59-0.mol

Synonyms:(4-(2,5-Dioxopyrrolidinyl)-2-butynyl)thiolanium perchlorate;Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate;1-(4-(2,5-Dioxo-1-pyrrolidinyl)-2-butynyl)tetrahydrothiophenium perchlorate;110826-59-0;C12H16NO2S.ClO4;DTXSID70149399;C12-H16-N-O2-S.Cl-O4;LS-153199

Chemical Property of Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 337.0386861
• Heavy Atom Count: 21
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC[S+](C1)CC#CCN2C(=O)CCC2=O.[O-]Cl(=O)(=O)=O

Technology Process of Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

There total 3 articles about Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate 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: 73.0%

thiophene (110-01-0) + N-(4-bromo-2-butynyl)succinimide (110826-55-6) → <4-(2,5-dioxopyrrolidinyl)-2-butynyl>thiolanium perchlorate (110826-59-0)

Guidance literature:

With silver perchlorate; In acetonitrile; for 48h; Ambient temperature;

DOI:10.1021/jm00396a025

Reference yield:

1-(prop-2-yn-1-yl)pyrrolidine-2,5-dione (10478-33-8) → <4-(2,5-dioxopyrrolidinyl)-2-butynyl>thiolanium perchlorate (110826-59-0)

Guidance literature:

Multi-step reaction with 3 steps

2: 65 percent / BrCN / CHCl₃ / Ambient temperature

3: 73 percent / AgClO₄ / acetonitrile / 48 h / Ambient temperature

With bromocyane; silver perchlorate; In chloroform; acetonitrile;

DOI:10.1021/jm00396a025

Reference yield:

DKJ 21 (7591-19-7) → <4-(2,5-dioxopyrrolidinyl)-2-butynyl>thiolanium perchlorate (110826-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / BrCN / CHCl₃ / Ambient temperature

2: 73 percent / AgClO₄ / acetonitrile / 48 h / Ambient temperature

With bromocyane; silver perchlorate; In chloroform; acetonitrile;

DOI:10.1021/jm00396a025

upstream raw materials:

thiophene

N-(4-bromo-2-butynyl)succinimide

1-(prop-2-yn-1-yl)pyrrolidine-2,5-dione

DKJ 21