129894-65-1

Basic information

• Product Name: Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)-
• Synonyms: Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)-;Benzenemethanol, a-(aminomethyl)-2,4-dichloro-, (S)-;4-dichloro-;a-(aMinoMethyl)-2;(1S)-2-amino-1-(2,4-dichlorophenyl)ethanol
• CAS NO: 129894-65-1
• Molecular Formula: C₈H₉Cl₂NO
• Molecular Weight: 206.07
• Product Categories: API intermediates
• Mol File: 129894-65-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 354.1°C at 760 mmHg
• Flash Point: 167.9°C
• Appearance: /
• Density: 1.391g/cm³
• Vapor Pressure: 1.26E-05mmHg at 25°C
• Refractive Index: 1.6
• CAS DataBase Reference: Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)-(129894-65-1)
• EPA Substance Registry System: Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)-(129894-65-1)

Safety Data

• Hazardous Substances Data: 129894-65-1(Hazardous Substances Data)

Usage

General Description

Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)- is a chemical compound with the molecular formula C8H9Cl2NO. It is an enantiopure form of 2,4-dichlorophenylmethanol, which is used in the pharmaceutical industry as a key intermediate in the synthesis of various pharmaceutical compounds. Benzenemethanol-(aminomethyl)-2,4-dichloro-,(S)- is important for the development of drugs with potential therapeutic applications, particularly in the treatment of neurological and psychiatric disorders. Its specific stereochemistry (S)-configuration is crucial for its pharmacological activity and biological function, making it an important chemical building block in drug discovery and development.

InChI:InChI=1/C8H9Cl2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H,4,11H2/t8-/m1/s1

Upstream product

• 874-42-0 2,4-dichlorobenzaldeyhde 
• 929260-29-7 (S)-(+)-1-(2,4-dichlorophenyl)-2-nitroethanol 

Downstream Products

• 27646-28-2 (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol 
• 73094-37-8 (S)-1-(2-((4-chlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole 

Relevant articles and documents

Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction

We have developed a novel multifunctional C2-symmetric biphenyl-based diamine-tethered bis(thiourea) organocatalyst, which was tested in the asymmetric Henry reaction. Under thoroughly optimized conditions, the catalyst provided exceptionally high yields and excellent enantioselectivities especially for electron-deficient aromatic and heterocyclic substrates. Due to a high affinity of the catalyst to silica gel, a simple chromatography-free nitroaldol isolation procedure was feasible. Preliminary kinetic and spectroscopic experiments were performed in order to complete the mechanistic picture of the organocatalyzed nitroaldolization process. Finally, the developed synthetic strategy was successfully applied to the catalytic enantioselective syntheses of enantiopure (S)-econazole and (R)-mirabegron a late-stage intermediate.