40172-06-3

Basic information

• Product Name: 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL
• Synonyms: 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL;2-(3,4-Dichlorbenzylamino)ethanol;N-(3,4-Dichlorobenzyl)ethanolamine;NSC 91875;Ethanol, 2-[[(3,4-dichlorophenyl)Methyl]aMino]-;2-[(3,4-Dichlorophenyl)methylamino]ethanol
• CAS NO: 40172-06-3
• Molecular Formula: C₉H₁₁Cl₂NO
• Molecular Weight: 220.1
• Mol File: 40172-06-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 349.7 °C at 760 mmHg
• Flash Point: 165.3 °C
• Appearance: /
• Density: 1.302
• Vapor Pressure: 1.73E-05mmHg at 25°C
• Refractive Index: 1.568
• CAS DataBase Reference: 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL(40172-06-3)
• EPA Substance Registry System: 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL(40172-06-3)

Safety Data

• Hazardous Substances Data: 40172-06-3(Hazardous Substances Data)

Usage

General Description

2-(3,4-Dichloro-benzylamino)-ethanol is a synthetic organic compound that belongs to a class of substances known as benzylaminos. It is composed of chlorine atoms, a benzene ring, and an ethanol chain, which gives this compound its name. 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL is likely used in the development and manufacturing of various types of chemical products or as an intermediate in chemical reactions. However, specific applications for 2-(3,4-dichloro-benzylamino)-ethanol are not well-documented in the publicly available literature, and information about its toxicity or potential effects on the environment or human health is also limited. Further research and chemical analysis are necessary to establish these factors.

InChI:InChI=1/C9H11Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2

Upstream product

• 102-47-6 3,4-Dichlorophenylmethyl chloride 
• 141-43-5 ethanolamine 
• 73927-26-1 2-(3,4-dichloro-benzylideneamino)-ethanol 

Downstream Products

• 115210-47-4 dibromo-acetic acid-[(3,4-dichloro-benzyl)-(2-hydroxy-ethyl)-amide] 
• 861848-86-4 4-(3,4-dichloro-benzyl)-2-vinyl-morpholine 
• 610785-35-8 2-{(2R)-3-[(3,4-dichlorobenzyl)(2-hydroxyethyl)amino]-2-hydroxypropyl}-1H-isoindole-1,3(2H)-dione 
• 914927-61-0 C₁₂H₁₆Cl₃NO₂ 
• 407640-38-4 2-[4-(3,4-dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione 
• 914980-56-6 N-(3,4-dichlorobenzyl)-2(R)-(chloromethyl)morpholine 
• 407640-11-3 (2S)-2-aminomethyl-4-(3,4-dichlorobenzyl)morpholine 
• 610305-43-6 2-{[(2R)-4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}-1H-isoindole-1,3-(2H)-dione 
• 407640-03-3 [4-(3,4-dichlorobenzyl)morpholin-2-yl]methylamine 
• 1018909-06-2 tert-butyl 3,4-dichlorobenzyl(2-hydroxyethyl)carbamate 

Relevant articles and documents

Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping

Selective inhibition of neuronal nitric oxide synthase (nNOS) has been shown to prevent brain injury and is important for the treatment of various neurodegenerative disorders. This study shows that not only greater inhibitory potency and isozyme selectivity but more druglike properties can be achieved by fragment hopping. On the basis of the structure of lead molecule 6, fragment hopping effectively extracted the minimal pharmacophoric elements in the active site of nNOS for ligand hydrophobic and steric interactions and generated appropriate lipophilic fragments for lead optimization. More potent and selective inhibitors with better druglike properties were obtained within the design of 20 derivatives (compounds 7-26). Our structure - based inhibitor design for nNOS and SAR analysis reveal the robustness and efficiency of fragment hopping in lead discovery and structural optimization, which implicates a broad application of this approach to many other therapeutic targets for which known druglike small-molecule modulators are still limited.