Benzyl(dimethyl)azanium;chloride

Base Information

• Chemical Name: Benzyl(dimethyl)azanium;chloride
• CAS No.: 1875-92-9
• Molecular Formula: C9H13 N . Cl H
• Molecular Weight: 171.67
• Mol file: 1875-92-9.mol

Synonyms:benzyl(dimethyl)azanium;chloride;SCHEMBL9182481

Chemical Property of Benzyl(dimethyl)azanium;chloride

Chemical Property:

• Boiling Point: 181°Cat760mmHg
• Flash Point: 54.4°C
• PSA: 3.24000
• Density: 0.926g/cm³
• LogP: 2.55020
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 171.0814771
• Heavy Atom Count: 11
• Complexity: 87.6

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzyl(dimethyl)azanium;chloride

There total 14 articles about Benzyl(dimethyl)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: 93.0%

methanol (67-56-1) + benzylamine (100-46-9) → N,N-dimethylbenzylamine hydrochloride (1875-92-9)

Guidance literature:

methanol; benzylamine; With Ag/TiO₂; at 25 ℃; for 6h; under 760.051 Torr; UV-irradiation;

With hydrogenchloride; In diethyl ether; at 25 ℃; for 12h;

DOI:10.1021/acs.orglett.5b01063

Reference yield: 93.0%

N,N-dimethylbenzamide (611-74-5) → N,N-dimethylbenzylamine hydrochloride (1875-92-9)

Guidance literature:

N,N-dimethylbenzamide; With tris((4,4-dimethyl-2-oxazolinyl)phenylborate) MgMe; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane;

With hydrogenchloride;

DOI:10.1021/acscatal.5b01038

Reference yield: 73.0%

methyl N-benzyl,N-methyl carbamate (56475-82-2) → N,N-dimethylbenzylamine hydrochloride (1875-92-9)

Guidance literature:

methyl N-benzyl,N-methyl carbamate; With dibutylmagnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In n-heptane; at 65 ℃; for 24h; Inert atmosphere;

With hydrogenchloride; In water; ethyl acetate; for 0.25h;

DOI:10.1021/acs.orglett.0c00988

upstream raw materials:

Ir-{C₆H₄(CH₂NMe₂)-2}(COD)

dimethyltin dibromide

methanol

benzylamine

Downstream raw materials:

gallane, dimethylbenzylamine adduct

1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

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". . p. 1287 - 1300. Retrieved 2022/01/20.
• 2、 Barger, Christopher J.,Dicken, Rachel D.,Weidner, Victoria L.,Motta, Alessandro,Lohr, Tracy L.,Marks, Tobin J.. "La[N(sime3)2]3-catalyzed deoxygenative reduction of amides with pinacolborane. scope and mechanism". supporting information. p. 8019 - 8028. Retrieved 2020/05/27.