CID 561168

Base Information

• Chemical Name: CID 561168
• CAS No.: 100-94-7
• Molecular Formula: C16H20 N . Cl
• Molecular Weight: 261.794
• Hs Code.: 2923900090
• Mol file: 100-94-7.mol

Synonyms:

Chemical Property of CID 561168

Chemical Property:

• Melting Point: 93-95 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 0.46720
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 261.1284273
• Heavy Atom Count: 18
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

N-BENZYL-N,N-DIMETHYLPHENYLMETHANAMINIUM CHLORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-]

Technology Process of CID 561168

There total 3 articles about CID 561168 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: 49.0%

benzyl chloride (100-44-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → dimethyldibenzylammonium chloride (100-94-7)

Guidance literature:

With sodium carbonate; at 80 ℃; for 72h;

DOI:10.1016/j.molstruc.2005.10.027

Reference yield: 20.0%

benzyl chloride (100-44-7) + dimethyl amine (124-40-3) → dimethyldibenzylammonium chloride (100-94-7)

Guidance literature:

With potassium carbonate; In ethanol; water; at 20 ℃; for 168h; Cooling with ice;

DOI:10.1021/acs.joc.6b01914

Reference yield:

N,N'-dimethylbenzylamine (103-83-3) + benzyl chloride (100-44-7) → dimethyldibenzylammonium chloride (100-94-7)

Guidance literature:

DOI:10.1021/ja01153a022

upstream raw materials:

N,N'-dimethylbenzylamine

benzyl chloride

dimethyl amine

N,N-dimethyl-formamide

Downstream raw materials:

benzyl methyl ether

N,N'-dimethylbenzylamine

bibenzyl-α-yl-dimethyl-amine

N,N′-dimethyl-1-phenyl-1-(o-tolyl)methanamine

Refernces

• 1、 Colgan, Avene C.,Müller-Bunz, Helge,McGarrigle, Eoghan M.. "Benzylation Reactions in DMF Lead to an Impurity Which Acts as an Organocatalyst Poison in Thiourea-Catalyzed Glycosylations". . p. 11394 - 11396. Retrieved 2016.
• 2、 Ropponen, Jarmo,Lahtinen, Manu,Busi, Sara,Nissinen, Maija,Kolehmainen, Erkki,Rissanen, Kari. "Novel one-pot synthesis of quaternary ammonium halides: New route to ionic liquids". . p. 1426 - 1430. Retrieved 2004.