886061-26-3

Basic information

• Product Name: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL
• Synonyms: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL ;REF DUPL: (S)-beta-(4-chlorophenyl)alaninol;(S)-3-Amino-3-(4-chlorophenyl)-1-propanol;(S)-3-(4-chlorophenyl)-beta-alaninol HCl;(S)-3-aMino-3-(4-chloro-phenyl)propan-1-ol (2S)-3-amino-2-(4-chlorophenyl)propan-1-ol;Benzenepropanol, .gamma.-amino-4-chloro-, (.gamma.S)-;Benzenepropanol, g-amino-4-chloro-, (gS)
• CAS NO: 886061-26-3
• Molecular Formula: C9H12ClNO
• Molecular Weight: 185.65068
• Mol File: 886061-26-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 53-56 °C
• Boiling Point: 327.9°C at 760 mmHg
• Flash Point: 152.1°C
• Appearance: /
• Density: 1.216
• Vapor Pressure: 7.93E-05mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: 2-8°C(protect from light)
• PKA: 14.87±0.10(Predicted)
• CAS DataBase Reference: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL(886061-26-3)
• EPA Substance Registry System: (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL(886061-26-3)

Safety Data

• Hazardous Substances Data: 886061-26-3(Hazardous Substances Data)

Usage

General Description

(S)-3-(4-chlorophenyl)-beta-alaninol is a chemical compound that belongs to the class of beta-alanine derivatives. It is a chiral compound with a specific configuration of atoms. (S)-3-(4-CHLOROPHENYL)-BETA-ALANINOL has been studied for its potential pharmacological properties, including its role as a potential antagonist for certain receptors in the central nervous system. It is also used as a building block in the synthesis of various pharmaceuticals and chemical intermediates. Additionally, this compound is utilized in the development of new materials and bioactive compounds. Studies have shown that (S)-3-(4-chlorophenyl)-beta-alaninol exhibits potential therapeutic effects and may have applications in the field of medicinal chemistry and drug development.

InChI:InChI=1/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1

Upstream product

• 104-88-1 4-chlorobenzaldehyde 
• 131690-60-3 (S)-β-amino-β-(4-chlorophenyl)propionic acid 
• 19947-39-8 3-amino-3-(4-chlorophenyl)propionic acid 

Relevant articles and documents

Deep learning-driven scaffold hopping in the discovery of Akt kinase inhibitors

Scaffold hopping has been widely used in drug discovery and is a topic of high interest. Here a deep conditional transformer neural network, SyntaLinker, was applied for the scaffold hopping of a phase III clinical Akt inhibitor, AZD5363. A number of nove

Site-Specific C(sp3)–H Aminations of Imidates and Amidines Enabled by Covalently Tethered Distonic Radical Anions

The utilization of N-centered radicals to synthesize nitrogen-containing compounds has attracted considerable attention recently, due to their powerful reactivities and the concomitant construction of C?N bonds. However, the generation and control of N-centered radicals remain particularly challenging. We report a tethering strategy using SOMO-HOMO-converted distonic radical anions for the site-specific aminations of imidates and amidines with aid of the non-covalent interaction. This reaction features a remarkably broad substrate scope and also enables the late-stage functionalization of bioactive molecules. Furthermore, the reaction mechanism is thoroughly investigated through kinetic studies, Raman spectroscopy, electron paramagnetic resonance spectroscopy, and density functional theory calculations, revealing that the aminations likely involve direct homolytic cleavage of N?H bonds and subsequently controllable 1,5 or 1,6 hydrogen atom transfer.

PYRROLO [2,3-D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS

The invention relates to a novel group of compounds of Formula (I) or salts thereof: wherein Y, Z1, Z2, R1, R4, R5 and n are as described in the specification, which may be useful in the treatment or prevention of a disease or medical condition mediated through protein kinase B (PKB) such as cancer. The invention also relates to pharmaceutical compositions comprising said compounds, methods of treatment of diseases mediated by PKB using said compounds and methods for preparing compounds of Formula (I)