Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide

Base Information

• Chemical Name: Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide
• CAS No.: 17311-01-2
• Molecular Formula: C10H13N2.I
• Molecular Weight: 288.131
• DSSTox Substance ID: DTXSID90465907
• Mol file: 17311-01-2.mol

Synonyms:Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide;17311-01-2;DTXSID90465907

Chemical Property of Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 288.01235
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide

There total 2 articles about Benzenaminium, 4-cyano-N,N,N-trimethyl-, iodide 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%

methyl iodide (74-88-4) + 4-cyano-N,N-dimethylaniline (1197-19-9) → (4-cyanophenyl)trimethylammonium iodide (17311-01-2)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201100683

Reference yield:

→ (4-cyanophenyl)trimethylammonium iodide (17311-01-2)

Guidance literature:

4-Cyan-N.N-dimethylanilin, Methyliodid;

Reference yield: 100.0%

trimethyltin(IV)chloride (1066-45-1) + sodium (7440-23-5) + (4-cyanophenyl)trimethylammonium iodide (17311-01-2) → (4-cyanophenyl)trimethylstannane (58666-77-6)

Guidance literature:

With methyl iodide; In ammonia; condensation of sodium-dried ammonia into round-bottomed Pyrex flask, addn. of Me3SnCl and Na, then addn. of CNC6H4NMe3I; holding in dark for 0.08 h; quenching by addn. of MeI in excess; evapn. of ammonia, treatment with water, extn. with ether;

DOI:10.1021/om000859p

upstream raw materials:

methyl iodide

4-cyano-N,N-dimethylaniline

Downstream raw materials:

(4-cyanophenyl)trimethylstannane

p-(p-tolyl)benzonitrile

tert-butyl 4-cyanophenyl ether

Refernces