N-Butyl-3-methylpyridinium dicyanamide

Base Information

• Chemical Name: N-Butyl-3-methylpyridinium dicyanamide
• CAS No.: 712355-12-9
• Molecular Formula: C10H16N.C2N3
• Molecular Weight: 216.286
• European Community (EC) Number: 682-592-6
• DSSTox Substance ID: DTXSID801339541
• Mol file: 712355-12-9.mol

Synonyms:N-BUTYL-3-METHYLPYRIDINIUM DICYANAMIDE;712355-12-9;1-butyl-3-methylpyridin-1-ium;cyanoiminomethylideneazanide;FYBPOFIFDAOGDM-UHFFFAOYSA-N;DTXSID801339541;MFCD09038878;3-methyl-1-butylpyridinium dicyanamide;AKOS037645788;AS-63513;D93268;1-BUTYL-3-METHYLPYRIDIN-1-IUM;DICYANOAZANIDE;[(CYANOIMINO)METHYLIDENE]AZANIDE

Chemical Property of N-Butyl-3-methylpyridinium dicyanamide

Chemical Property:

• PSA: 51.46000
• LogP: 2.40486
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.137496527
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

99%, ^*data from raw suppliers

N-BUTYL-3-METHYLPYRIDINIUM DICYANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CC=CC(=C1)C.C(=[N-])=NC#N

Technology Process of N-Butyl-3-methylpyridinium dicyanamide

There total 3 articles about N-Butyl-3-methylpyridinium 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: 88.0%

1-n-butyl-3-methylpyridin-1-ium bromide (26576-85-2) + silver dicyanamide (51342-29-1) → 1-butyl-3-methylpyridinium dicyanoazanide (712355-12-9)

Guidance literature:

In water; for 2h; Darkness;

DOI:10.1021/ja308139s

Reference yield: 87.0%

1-butyl-3-methylimidazolium chloride (125652-55-3) + sodium dicyanamide (1934-75-4) → 1-butyl-3-methylpyridinium dicyanoazanide (712355-12-9)

Guidance literature:

In water; at 20 ℃;

Reference yield:

3-Methylpyridine (108-99-6) → 1-butyl-3-methylpyridinium dicyanoazanide (712355-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 12 h / 100 °C

2: water / 2 h / Darkness

In water;

DOI:10.1021/ja308139s

upstream raw materials:

1-butyl-3-methylimidazolium chloride

sodium dicyanamide

1-n-butyl-3-methylpyridin-1-ium bromide

silver dicyanamide

Refernces

• 1、 Xu, Xuan,Li, Haoran,Wang, Yong. "Selective hydrogenation of phenol to cyclohexanone in water over PD@N-doped carbon derived from ionic-liquid precursors". . p. 3328 - 3332. Retrieved 2015/04/16.
• 2、 -. "Alkylpyridiniumdicyanamides as polar solvents". Page/Page column 5. . Retrieved 2008/06/13.