1-Butyl-1-methylpyrrolidinium dicyanamide

Base Information

• Chemical Name: 1-Butyl-1-methylpyrrolidinium dicyanamide
• CAS No.: 370865-80-8
• Molecular Formula: C9H20N.C2N3
• Molecular Weight: 208.307
• Hs Code.: 2933 99 80
• European Community (EC) Number: 625-659-7
• UNII: R5558PYP9Z
• ChEMBL ID: CHEMBL3187914
• DSSTox Substance ID: DTXSID2047939
• Wikidata: Q27896617
• Mol file: 370865-80-8.mol

Synonyms:1-butyl-1-methylpyrrolidinium dicyanamide

Chemical Property of 1-Butyl-1-methylpyrrolidinium dicyanamide

Chemical Property:

• Melting Point: -55 °C
• Refractive Index: 1.4960 to 1.5000
• Boiling Point: >171°C(decomposition)
• PSA: 47.58000
• Density: 1.02 g/cm3
• LogP: 2.30796
• Storage Temp.: Store below +30°C.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.16879665
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

1-Butyl-1-methylpyrrolidinium dicyanamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC[N+]1(CCCC1)C.C(=[N-])=NC#N

Technology Process of 1-Butyl-1-methylpyrrolidinium dicyanamide

There total 2 articles about 1-Butyl-1-methylpyrrolidinium dicyanamide 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: 90.0%

sodium dicyanamide (1934-75-4) + 1-butyl-1-methylpyrrolidinium chloride (479500-35-1) → 1-butyl-1-methylpyrrolidinium dicyanamide (370865-80-8)

Guidance literature:

In dichloromethane; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1039/c3gc37034h

Reference yield: 83.0%

silver dicyanamide (51342-29-1) + 1-n-Butyl-1-methylpyrrolidinium iodide (56511-17-2) → 1-butyl-1-methylpyrrolidinium dicyanamide (370865-80-8)

Guidance literature:

In water;

DOI:10.1039/b103064g

upstream raw materials:

silver dicyanamide

1-n-Butyl-1-methylpyrrolidinium iodide

sodium dicyanamide

1-butyl-1-methylpyrrolidinium chloride