96-79-7

Basic information

• Product Name: 2''-CHLORO-1,1'-DIMETHYLTRIETHYLAMINE
• Synonyms: 2-(diisopropylamino)ethylchloride;2-(N,N-diisopropylamino)ethylchloride;2’’-chloro-1,1’-dimethyl-triethylamin;2-chloro-1’,1’’-dimethyl-triethylamin;beta-(diisopropylamino)ethylchloride;n-(2-chloroethyl)-diisopropylamin;n-(2-chloroethyl)-n-(1-methylethyl)-2-propanamin;n,n-diisopropyl-2-chloroethylamine
• CAS NO: 96-79-7
• Molecular Formula: C₈H₁₈ClN
• Molecular Weight: 163.69
• EINECS: 202-535-7
• Mol File: 96-79-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 152.7°Cat760mmHg
• Flash Point: 46.1°C
• Appearance: /
• Density: 0.909g/cm³
• Vapor Pressure: 3.46mmHg at 25°C
• Refractive Index: 1.441
• CAS DataBase Reference: 2''-CHLORO-1,1'-DIMETHYLTRIETHYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2''-CHLORO-1,1'-DIMETHYLTRIETHYLAMINE(96-79-7)
• EPA Substance Registry System: 2''-CHLORO-1,1'-DIMETHYLTRIETHYLAMINE(96-79-7)

Safety Data

• Hazardous Substances Data: 96-79-7(Hazardous Substances Data)

Usage

General Description

2''-Chloro-1,1'-dimethyltriethylamine is an organic compound with the chemical formula C10H23ClN. It is a quaternary ammonium compound with a chloro-substituted methyl group and three ethyl groups attached to the nitrogen atom. This chemical is commonly used as a phase-transfer catalyst and as a precursor in organic synthesis. It is known for its strong basic properties and is often used in reactions that require the transfer of a reactant from one phase to another. Additionally, 2''-Chloro-1,1'-dimethyltriethylamine is also used in the manufacture of pharmaceuticals, polymers, and agrochemicals. It is important to handle this compound with caution as it can be corrosive and harmful if it comes into contact with the skin or eyes.

InChI:InChI=1/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3

Upstream product

• 107-06-2 1,2-dichloro-ethane 
• 108-18-9 diisopropylamine 
• 585526-52-9 ethyl ({[bis(propan-2-yl)amino]methyl}sulfanyl)(methyl)phosphinate 
• 96-80-0 2-(diisopropylamino)ethanol 

Downstream Products

• 13347-41-6 xanthene-9-carboxylic acid-(2-diisopropylamino-ethyl ester) 
• 67465-68-3 10-<2-Diisopropylamino-aethyl>-4-aza-phenothiazin 
• 31118-38-4 N-[4-(2-Diisopropylamino-ethoxy)-phenyl]-N'-methyl-benzamidine 
• 94681-82-0 α,α-Diethyl-4-chlor-phenylessigsaeure-(2-diisopropylamino-ethylester) 
• 66660-88-6 2-[1-Phenyl-meth-(E)-ylidene]-cyclopentanone O-(2-diisopropylamino-ethyl)-oxime 
• 57227-43-7 N-{2-[4-(2-Diisopropylamino-ethoxy)-phenyl]-1-ethylcarbamoyl-ethyl}-benzamide 
• 27021-43-8 Diisopropyl-(2-phenethyloxy-ethyl)-amine 
• 31118-17-9 N'-(4-chlorophenyl)-N-<4-<2-(diisopropylamino)ethoxy>phenyl>benzamidine 
• 31118-48-6 N-[4-(2-Diisopropylamino-ethoxy)-phenyl]-N'-isobutyl-benzamidine 
• 31118-34-0 N-Cyclohexyl-N'-[4-(2-diisopropylamino-ethoxy)-phenyl]-benzamidine 
• 31109-83-8 N-[4-(2-Diisopropylamino-ethoxy)-phenyl]-N'-(2,3-dimethyl-phenyl)-benzamidine 
• 66660-94-4 2-[1-Phenyl-meth-(E)-ylidene]-cycloheptanone O-(2-diisopropylamino-ethyl)-oxime 
• 135420-63-2 Diisopropyl-[2-(1,3,3-trimethyl-6-phenyl-2-oxa-bicyclo[2.2.2]oct-6-yloxy)-ethyl]-amine 
• 39162-25-9 Diisopropyl-[2-(1-phenyl-cycloheptyloxy)-ethyl]-amine 

Relevant articles and documents

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Design, Synthesis, and Biological Evaluation of Scutellarein Derivatives Based on Scutellarin Metabolic Mechanism in Vivo

Three series of scutellarein derivatives have been designed and synthesized based on metabolic mechanism of scutellarin (1) in vivo. Their thrombin inhibition activities were tested through the analyzation of prothrombin time (PT), activated partial thromboplastin time (APTT), thrombin time (TT), and fibrinogen (FIB). The antioxidant activities of these target products were assessed by 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) assay and the ability to protect PC12 cells against H2O2-induced cytotoxicity, and their solubilities were evaluated by ultraviolet (UV) spectrophotometer. The results showed that the two isopropyl groups substituted derivative (18c) demonstrated stronger anticoagulant activity, better water solubility, and good antioxidant activity compared with scutellarein (2), which warrants further development of 18c as a promising agent for ischemic cerebrovascular disease treatment. Three series of scutellarein derivatives have been designed and synthesized based on metabolic mechanism of scutellarin (1) in vivo. The results of the biological evaluation showed that the two isopropyl groups substituted derivative (18c) demonstrated stronger anticoagulant activity, better water solubility, and good antioxidant activity compared with scutellarein (2), which warrants further development of 18c as a promising agent for ischemic cerebrovascular disease treatment.

Structure-activity relationships of dimethindene derivatives as new M2-selective muscarinic receptor antagonists

A series of 2,3-disubstituted indenes, which are analogues of the widely used histamine H1 receptor antagonist dimethindene, have been synthesized and studied as muscarinic and histamine receptor antagonists. The affinities of these compounds for the five human muscarinic receptor subtypes (M1-M5) and for human histamine H1 receptors were determined in radioligand binding studies using membranes from transfected Chinese hamster ovary (CHO) cells and [3H]N-methylscopolamine ([3H]NMS). The results demonstrate that the diisopropyl analogue 19 has a similar high affinity as (S)-dimethindene at M2 receptors ((S)-dimethindene: pKi = 7.52; (-)-19: pKi = 7.37) with an improved selectivity pattern ((S)-dimethindene: M2/M1 = 6-fold, M2/M3 = 5-fold, M2/M4 = 10-fold, M2/M5 = 25-fold; (-)-19: M2/M1 = 36-fold, M2/M3 = 96-fold, M2/M4 = 42-fold, M2/M5 = 275-fold). In addition, compound (-)-19 showed 35-fold lower affinity at histamine H1 receptors (pKi = 5.61) than (S)-dimethindene (pKi = 7.16). Another interesting compound is the fluoroethyl derivative 20 (pKi/M2 = 7.49), which also exhibits a higher M2 selectivity (M2/M1 = 19-fold; M2/M3 = 22-fold; M2/M4 13-fold; M2/M5 = 62-fold) than (S)-dimethindene. Unfortunately, compound 20 also shows a high affinity for histamine H1 receptors (pKi = 8.14). The compound with the highest affinity for M2 receptors (pKi = 7.91), the dimethylaminomethylene analogue 31, displayed only a small preference for M2 receptors. In conclusion, compound (-)-19 might be useful to test the hypothesis that blockade of muscarinic M2 receptors in the brain is a viable mechanism by which to produce improved cognition. This second-generation dimethindene analogue might also be the starting point for the development of M2-selective muscarinic antagonists useful for quantifying M2 receptors in the central nervous system with positron emission tomography imaging.