N-(3-Chloropropyl)-N,N-dimethylammonium chloride

Base Information

• Chemical Name: N-(3-Chloropropyl)-N,N-dimethylammonium chloride
• CAS No.: 5407-04-5
• Molecular Formula: C5H13Cl2N
• Molecular Weight: 158.071
• Hs Code.: 29211990
• Mol file: 5407-04-5.mol

Synonyms:N-(3-CHLOROPROPYL)-N,N-DIMETHYLAMMONIUM CHLORIDE;3-chloropropyl(dimethyl)azanium;chloride

Chemical Property of N-(3-Chloropropyl)-N,N-dimethylammonium chloride

Chemical Property:

• Appearance/Colour: white to yellowish crystalline powder
• Vapor Pressure: 9.61mmHg at 25°C
• Melting Point: 187-190 °C(lit.)
• Boiling Point: 130.7 °C at 760 mmHg
• Flash Point: 32.8 °C
• PSA: 3.24000
• LogP: 1.97890
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Solubility.: 2000g/l
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 157.0425048
• Heavy Atom Count: 8
• Complexity: 37.1

Purity/Quality:

98% ^*data from raw suppliers

3-(Dimethylamino)propyl Chloride Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-52/53
• Safety Statements: 26-61-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCCCl.[Cl-]
• Uses: 3-(Dimethylamino)propyl chloride hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet Dimethylaminopropyl chloride, hydrochloride is used mainly as a pharmaceutical intermediate for the synthesis of many types of drugs, as an agricultural chemical intermediate, as a photographic chemical intermediate, and as a biochemical reagent for enzyme and other studies. Dimethylaminopropyl chloride, hydrochloride is used mainly as a pharmaceutical intermediate for the synthesis of many types of drugs, as an agricultural chemical intermediate, as a photographic chemical intermediate, and as a biochemical reagent for enzyme and other studies. The compound shows mutagenic activity.

Technology Process of N-(3-Chloropropyl)-N,N-dimethylammonium chloride

There total 6 articles about N-(3-Chloropropyl)-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: 98.0%

3-Dimethylamino-1-propanol (3179-63-3) → 3-(dimethylamino)propyl chloride hydrochloride (5407-04-5)

Guidance literature:

With sulfuryl dichloride; In chloroform; at 0 ℃; for 5h; Reflux;

Reference yield: 90.0%

dimethyl amine (124-40-3) + 3-chloroprop-1-ene (107-05-1) → 3-(dimethylamino)propyl chloride hydrochloride (5407-04-5)

Guidance literature:

With diatomaceous earth; In toluene; at 45 ℃; for 10h; Reagent/catalyst; Temperature; Solvent;

Reference yield: 60.8%

dimethyl amine (124-40-3) + 1-chloro-3-hydroxypropane (627-30-5) → 3-(dimethylamino)propyl chloride hydrochloride (5407-04-5)

Guidance literature:

dimethyl amine; 1-chloro-3-hydroxypropane; for 4h; Reflux;

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

upstream raw materials:

formaldehyd

3-chloropropylamine hydrochloride

dimethyl amine

1-chloro-3-hydroxypropane

Downstream raw materials:

[3-(4-bromo-2,6-diisopropyl-phenoxy)-propyl]-dimethyl-amine

cyclohexyl-phenyl-acetic acid-(3-dimethylamino-propyl ester)

[3-(4-chloro-2,6-diisopropyl-phenoxy)-propyl]-dimethyl-amine

[3-(3-chloro-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-propyl]-dimethyl-amine

Refernces

• 1、 -. "BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING SAME". Paragraph 00681-00683. . Retrieved 2019/06/05.
• 2、 -. "INDENOISOQUINOLINONE DERIVATIVES, MANUFACTURING METHOD AND MEDICAL USE THEREOF". Paragraph 0058; 0059. . Retrieved 2013/04/13.