N-(2-Chloroethyl)-N,N-dimethylammonium chloride

Base Information

• Chemical Name: N-(2-Chloroethyl)-N,N-dimethylammonium chloride
• CAS No.: 4584-46-7
• Molecular Formula: C4H10ClN^.HCl
• Molecular Weight: 144.044
• Hs Code.: 29211980
• European Community (EC) Number: 224-970-1
• Mol file: 4584-46-7.mol

Synonyms:N-(2-Chloroethyl)-N,N-dimethylammonium chloride;NSC 1917;EINECS 224-970-1;2-Chloroethyldimethylammonium chloride;NSC 111230;(2-Chloroethyl)dimethylamine, hydrochloride;AI3-22778;Dimethyl-beta-chloroethylamine hydrochloride;Bis(methyl)-2-chloroethylamine hydrochloride;(beta-Chloroethyl)dimethylamine hydrochloride;2-Chloroethyl dimethyl ammonium chloride;Chloro(dimethylamino)ethane hydrochloride;Dimethyl(2-chloroethyl)amine hydrochloride;UNII-HE7Z9G0YMA;HE7Z9G0YMA;(2-Chloroethyl)dimethylamine monohydrochloride;ETHYLAMINE, 2-CHLORO-N,N-DIMETHYL-, HYDROCHLORIDE;1-Chloro-2-(dimethylamino)ethane hydrochloride;EC 224-970-1;Ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1);AKOS024364123;LS-67982

Chemical Property of N-(2-Chloroethyl)-N,N-dimethylammonium chloride

Chemical Property:

• Appearance/Colour: colorless to beige crystal
• Vapor Pressure: 214mmHg at 25°C
• Melting Point: 201-204 °C(lit.)
• Boiling Point: 57.8 °C at 760 mmHg
• Flash Point: 21.6 °C
• PSA: 3.24000
• LogP: 1.58880
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: 2000g/l
• Water Solubility.: 2000 g/L (20 ºC)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 143.0268547
• Heavy Atom Count: 7
• Complexity: 28.7

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-N,N-dimethylethylamine hydrochloride 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,T+
• Hazard Codes: T,N,T+
• Statements: 22-24-36/37/38-68-51/53-26
• Safety Statements: 26-36/37-45-61-36/37/39-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCCl.[Cl-]
• Uses: 2-Chloro-N,N-dimethylethylamine hydrochloride (DMC) is used as intermediate for the synthesis of pharmaceuticals (e.g. bephenium hydroxnaphthoate, diltiazem, mepyramine and phenyltoloxamine). Product Data Sheet 2-Chloro-N,N-dimethylethylamine is a widely used as a intermediate and starting reagent for organic synthesis. 2-Chloro-N,N-dimethylethylamine is a widely used as a intermediate and starting reagent for organic synthesis. Also acts as Intermediate for the syntheses of bephenium hydroxynaphthoate, diltiazem, mepyramine and phenyltoloxamine.

Technology Process of N-(2-Chloroethyl)-N,N-dimethylammonium chloride

There total 3 articles about N-(2-Chloroethyl)-N,N-dimethylammonium 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: 100.0%

2-(N,N-dimethylamino)ethanol (108-01-0) → (2-chloroethyl)dimethylamine hydrochloride (4584-46-7)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃;

Reference yield: 60.8%

dimethyl amine (124-40-3) + 2-chloro-ethanol (107-07-3) → (2-chloroethyl)dimethylamine hydrochloride (4584-46-7)

Guidance literature:

dimethyl amine; 2-chloro-ethanol; for 4h; Reflux;

With thionyl chloride; In tetrachloromethane; at 20 ℃; for 4h; Cooling with ice;

Reference yield: 51.0%

→ (2-chloroethyl)dimethylamine hydrochloride (4584-46-7)

Guidance literature:

upstream raw materials:

2-(N,N-dimethylamino)ethanol

dimethyl amine

2-chloro-ethanol

Downstream raw materials:

N-methyl-N'-(2-dimethylaminoethyl)piperazine

(4-methoxy-phenyl)-acetic acid-(2-dimethylamino-ethyl ester)

[2-(2,6-diisopropyl-phenoxy)-ethyl]-dimethyl-amine

[2-(2,6-diethyl-phenoxy)-ethyl]-dimethyl-amine

Refernces

• 1、 Babu, K. Naresh,Masarwa, Ahmad,Massarwe, Fedaa,Shioukhi, Israa. "Sequential Selective C?H and C(sp3)?+P Bond Functionalizations: An Entry to Bioactive Arylated Scaffolds". supporting information. p. 26199 - 26209. Retrieved 2021/11/09.
• 2、 Houston, Sevan D.,Fahrenhorst-Jones, Tyler,Xing, Hui,Chalmers, Benjamin A.,Sykes, Melissa L.,Stok, Jeanette E.,Farfan Soto, Clementina,Burns, Jed M.,Bernhardt, Paul V.,De Voss, James J.,Boyle, Glen M.,Smith, Maree T.,Tsanaktsidis, John,Savage, G. Paul,Avery, Vicky M.,Williams, Craig M.. "The cubane paradigm in bioactive molecule discovery: Further scope, limitations and the cyclooctatetraene complement". supporting information. p. 6790 - 6798. Retrieved 2019/07/22.