2-Chloro-N,N-diethylethanamine hydrochloride

Base Information

• Chemical Name: 2-Chloro-N,N-diethylethanamine hydrochloride
• CAS No.: 869-24-9
• Deprecated CAS: 147181-43-9
• Molecular Formula: C6H14ClN^.HCl
• Molecular Weight: 172.098
• Hs Code.: 29211980
• European Community (EC) Number: 212-786-4
• NSC Number: 2059
• UNII: YCY6EQT3WA
• DSSTox Substance ID: DTXSID1029203
• Wikidata: Q27294464
• ChEMBL ID: CHEMBL3182521
• Mol file: 869-24-9.mol

Synonyms:2-chloro-N,N-diethylethylamine;beta-diethylaminoethyl chloride;N,N-diethyl-2-chloroethylamine;N,N-diethyl-2-chloroethylamine hydrochloride;N,N-diethyl-2-chloroethylamine sulfate (1:1);N,N-diethyl-2-chloroethylamine sulfate (2:1)

Chemical Property of 2-Chloro-N,N-diethylethanamine hydrochloride

Chemical Property:

• Appearance/Colour: Colourless to beige crystals
• Vapor Pressure: 20.3mmHg at 25°C
• Melting Point: 208-212 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 114 °C at 760 mmHg
• Flash Point: 22.8 °C
• PSA: 3.24000
• Density: 1.1919 (rough estimate)
• LogP: 2.36900
• Storage Temp.: Poison room
• Sensitive.: Moisture Sensitive
• Solubility.: methanol: 0.1 g/mL, clear, colorless
• Water Solubility.: 2000 g/L (20 ºC)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 171.0581549
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-N,N-diethylethylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi, T+
• Hazard Codes: Xn,T,Xi,T+
• Statements: 22-36/37/38-26-24/25-23/24/25
• Safety Statements: 26-36-45-36/37/39-28A

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Halogenated Aliphatic Amines
• Canonical SMILES: CCN(CC)CCCl.Cl
• Uses: 2-Diethylaminoethylchloride hydrochloride is used as intermediate for the syntheses of pharmaceuticals (e.g. amiodarone, butetamate citrate, flurazepam and naftidrofuryl). Product Data Sheet 2-Chloro-N,N-diethylethylamine hydrochloride (65% in water) (DEC 65) is used as intermediate for the syntheses of pharmaceuticals (e.g. amiodarone, butetamate citrate, flurazepam and naftidrofuryl). Product Data Sheet 2-Chloro-N,N-diethylethylamine hydrochloride can be used as an alkylating reagent for the synthesis of:Substituted oxindole derivatives to be used as growth hormone secretagogs.1-Substituted-5,6-dinitrobenzimidazoles with antimicrobial and antiprotozoal activities.Thiophene containing triarylmethane (TRAM) derivatives to be used as antitubercular agents.Tris(2-(diethylamino)ethyl)amine to be used as a catalyst in combination with CuBr (Et6TREN/CuBr) for atom transfer radical polymerization of n-butyl acrylate.It can also be used for the derivatization of chitosan to incorporate aminofunctionality onto it at C-6 position.

Technology Process of 2-Chloro-N,N-diethylethanamine hydrochloride

There total 7 articles about 2-Chloro-N,N-diethylethanamine hydrochloride 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: 98.08%

2-(Diethylamino)ethanol (100-37-8) → 2-chloro-N,N-diethylethylamine hydrochloride (869-24-9)

Guidance literature:

2-(Diethylamino)ethanol; With thionyl chloride; In dichloromethane; at -10 - 35 ℃; for 2.5h;

With hydrogenchloride;

Reference yield: 63.0%

→ 2-chloro-N,N-diethylethylamine hydrochloride (869-24-9)

Guidance literature:

Reference yield: 46.6%

diethylamine (109-89-7) + 2-chloro-ethanol (107-07-3) → 2-chloro-N,N-diethylethylamine hydrochloride (869-24-9)

Guidance literature:

diethylamine; 2-chloro-ethanol; for 4h; Reflux;

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

upstream raw materials:

2-(Diethylamino)ethanol

1,2-dichloro-ethane

diethylamine

1,1,4,4-tetraethyl-piperazinediium; dichloride

Downstream raw materials:

1-(2-diethylamino-ethyl)-1H-pyridin-2-one

2-(2'-diethylamino-ethanoxy)pyridine

diethyl-[2-(4,5-dihydro-1H-imidazol-2-ylmercapto)-ethyl]-amine; dihydrochloride

4-(2-diethylamino-ethoxy)-benzoic acid butyl ester

Refernces

Lewis Acid-Catalyzed Synthesis of Benzofurans and 4,5,6,7-Tetrahydrobenzofurans from Acrolein Dimer and 1,3-Dicarbonyl Compounds

10.1021/acs.joc.9b00270

The study presents a novel Lewis acid-catalyzed approach for the synthesis of benzofurans and 4,5,6,7-tetrahydrobenzofurans from acrolein dimer and 1,3-dicarbonyl compounds. The method employs N-bromosuccinimide (NBS) as an oxidizing agent and utilizes a combination of Lewis acid catalysts to achieve high yields of 2,3-disubstituted benzofurans. The researchers successfully synthesized two commercial drug molecules, benzbromarone and amiodarone, using this method. The study also explores the substrate scope and optimizes the reaction conditions. Additionally, the authors propose a mechanism involving NBS-assisted auto-tandem catalysis and provide evidence by isolating an intermediate that can be further converted to tetrahydrobenzofurans. This work offers an efficient and practical route to synthesize benzofuran derivatives with potential applications in pharmaceutical chemistry.

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