1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide

Base Information

• Chemical Name: 1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide
• CAS No.: 820972-37-0
• Molecular Formula: C₂F₆NO₄S₂*C₉H₁₁N₂
• Molecular Weight: 427.348
• European Community (EC) Number: 693-437-7
• DSSTox Substance ID: DTXSID10581219
• Mol file: 820972-37-0.mol

Synonyms:1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide;820972-37-0;DTXSID10581219;JOZMARQATICSNM-UHFFFAOYSA-N

Chemical Property of 1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide

Chemical Property:

• Refractive Index: n20/D 1.458±0.001
• PSA: 112.71000
• LogP: 4.49878
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 427.00951716
• Heavy Atom Count: 26
• Complexity: 513

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(3-CYANOPROPYL)PYRIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)CCCC#N.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Technology Process of 1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide

There total 3 articles about 1-(3-Cyanopropyl)pyridin-1-ium bis(trifluoromethanesulfonyl)azanide 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:

Br(1-)*C9H11N2(1+) (64480-46-2) + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → N-butyronitrile-pyridinium bis(trifluoromethylsulfonyl)imide (820972-37-0)

Guidance literature:

In water;

DOI:10.1021/jp2027675

Reference yield:

pyridine (110-86-1) → N-butyronitrile-pyridinium bis(trifluoromethylsulfonyl)imide (820972-37-0)

Guidance literature:

DOI:10.1055/s-2006-944198

Reference yield:

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 4-butyronitrilepyridinium chloride (820972-34-7) → N-butyronitrile-pyridinium bis(trifluoromethylsulfonyl)imide (820972-37-0)

Guidance literature:

DOI:10.1055/s-2006-944198

upstream raw materials:

bis(trifluoromethane)sulfonimide lithium

4-butyronitrilepyridinium chloride

pyridine

Br^(1-)*C₉H₁₁N₂⁽¹⁺⁾