Benzyl(methyl)azanium;chloride

Base Information

• Chemical Name: Benzyl(methyl)azanium;chloride
• CAS No.: 13426-94-3
• Molecular Formula: C8H12ClN
• Molecular Weight: 157.643
• Hs Code.: 2921499090
• Mol file: 13426-94-3.mol

Synonyms:benzyl(methyl)azanium;chloride

Chemical Property of Benzyl(methyl)azanium;chloride

Chemical Property:

• Melting Point: 173-174ºC
• Boiling Point: 180.5 °C at 760 mmHg
• Flash Point: 77.8 °C
• PSA: 12.03000
• LogP: 2.59890
• Water Solubility.: Water Solubility (%): Soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 157.0658271
• Heavy Atom Count: 10
• Complexity: 69.7

Purity/Quality:

98%min ^*data from raw suppliers

N-MethylbenzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH2+]CC1=CC=CC=C1.[Cl-]
• Uses: N-Methylbenzylamine Hydrochloride is an intermediate in the synthesis of a metabolite of Tramadol (T712500), an analgesic.

Technology Process of Benzyl(methyl)azanium;chloride

There total 25 articles about Benzyl(methyl)azanium;chloride 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: 98.0%

benzyl-methyl-amine (103-67-3) → N-methylbenzylamine hydrochloride (13426-94-3)

Guidance literature:

With hydrogenchloride; In water; toluene; at 80 ℃; for 4h; Heating / reflux;

Reference yield: 97.0%

benzyl-methyl-amine (103-67-3) + 2-chloro-5-(trifluoromethyl)pyrimidine (69034-12-4) → N-methylbenzylamine hydrochloride (13426-94-3) + N-benzyl-N-methyl-5-(trifluoromethyl)pyrimidin-2-amine

Guidance literature:

In neat (no solvent); at 120 ℃; for 16h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.1c01467

Reference yield: 97.0%

4-chloroquinoline (611-35-8) + benzyl-methyl-amine (103-67-3) → N-methylbenzylamine hydrochloride (13426-94-3) + N-benzyl-N-methylquinolin-4-amine

Guidance literature:

In neat (no solvent); at 120 ℃; for 16h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.1c01467

upstream raw materials:

benzyl-methyl-amine

N-(6-oxo-5,6,7,8-tetrahydro-[1]naphthyl)-acetamide

N-benzylformamide

formaldehyd

Downstream raw materials:

2-[(benzyl-methyl-amino)-methyl]-cyclohexanone

3-(benzyl(methyl)amino)-2,2-dimethylpropanal

3-(benzyl methylamino)-1-phenylpropan-1-one hydrochloride

Refernces

• 1、 K?ring, Laura,Paradies, Jan,Sitte, Nikolai A.. "Towards the Development of Frustrated Lewis Pair (FLP) Catalyzed Hydrogenations of Tertiary and Secondary Carboxylic Amides". supporting information. p. 1287 - 1300. Retrieved 2022/01/20.
• 2、 Fan, Guang-Gao,Jiang, Bo-Wen,Sang, Wei,Cheng, Hua,Zhang, Rui,Yu, Bao-Yi,Yuan, Ye,Chen, Cheng,Verpoort, Francis. "Metal-Free Synthesis of Heteroaryl Amines or Their Hydrochlorides via an External-Base-Free and Solvent-Free C-N Coupling Protocol". . p. 14627 - 14639. Retrieved 2021/11/01.