879088-41-2

Basic information

• Product Name: 4-chloro-3-(pyridin-2-yl)aniline
• Synonyms: 4-chloro-3-(pyridin-2-yl)aniline;4-chloro-3-(pyridin-2-yl)benzenaMine;4-Chloro-3-(2-pyridinyl)benzenamine;Vismodegib int-1 4-chloro-3-(pyridin-2-yl)benzenamine
• CAS NO: 879088-41-2
• Molecular Formula: C₁₁H₉ClN₂
• Molecular Weight: 205
• Mol File: 879088-41-2.mol
• Article Data: 26

Chemical Properties

• Boiling Point: 368.5±32.0 °C(Predicted)
• Appearance: /
• Density: 1.261±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Dichloromethane (Slightly), Ethyl Acetate (Slightly)
• PKA: 4.24±0.24(Predicted)
• CAS DataBase Reference: 4-chloro-3-(pyridin-2-yl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-3-(pyridin-2-yl)aniline(879088-41-2)
• EPA Substance Registry System: 4-chloro-3-(pyridin-2-yl)aniline(879088-41-2)

Safety Data

• Hazardous Substances Data: 879088-41-2(Hazardous Substances Data)

Usage

Uses

4-Chloro-3-(2-pyridinyl)benzenamine is a useful reagent for preparing smoothened (Smo) antagonists. Smo is an integral membrane protein involved with Hedgehog signaling.

Upstream product

• 109-04-6 2-bromo-pyridine 
• 573764-31-5 3-iodo-4-chloroaniline 
• 1350842-61-3 4-chloro-3-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 
• 74534-15-9 1-chloro-2-iodo-4-nitrobenzene 
• 6283-25-6 H₂NC₆H₃(Cl)NO₂ 
• 4373-60-8 2-(3-bromophenyl)pyridine 
• 1245636-12-7 2-(5-bromo-2-chlorophenyl)pyridine 
• 1195072-76-4 N-(4-chloro-3-(pyridin-2-yl)phenyl)benzamide 
• 98-80-6 phenylboronic acid 
• 16588-26-4 3-bromo-4-chloronitrobenzene 
• 23082-50-0 2'-chloro-5'-nitroacetophenone 
• 2516-96-3 2-chloro-5-nitrobenzoic acid 
• 25784-91-2 2-chloro-5-nitrobenzoylchloride 
• 879088-40-1 2-(2-chloro-5-nitrophenyl)-pyridine 

Downstream Products

• 879085-70-8 N-(3-(3,5-bis(trifluoromethyl)phenyl)propyl)-4-chloro-3-(pyridin-2-yl)benzenamine 
• 1552310-42-5 ethyl 7-(3-chloro-4-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)phenyl sulfonamido)heptanoate 
• 1552310-58-3 ethyl 2-(3-chloro-4-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)phenyl sulfonamido)pyrimidine-5-carboxylate 
• 1552310-69-6 ethyl 2-(4-((3-chloro-4-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)phenyl sulfonamido)methyl)piperidin-1-yl)pyrimidine-5-carboxylate 
• 1552310-67-4 tert-butyl 4-((3-chloro-4-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)phenyl sulfonamido)methyl)piperidine-1-carboxylate 
• 1552310-98-1 ethyl 4-(2-(3-chloro-4-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)phenyl sulfonamido)ethoxy)benzoate 
• 879085-55-9 vismodegib 

Relevant articles and documents

Elucidation of Distinct Modular Assemblies of Smoothened Receptor by Bitopic Ligand Measurement

Class F G protein-coupled receptors are characterized by a large extracellular domain (ECD) in addition to the common transmembrane domain (TMD) with seven α-helixes. For smoothened receptor (SMO), structural studies revealed dissected ECD and TMD, and th

Smooth receptor ligand

The invention relates to the technical field of biology, particularly to a smooth receptor ligand, and provides a smooth receptor ligand or an isomer prodrug, a solvate and a pharmaceutically acceptable salt thereof, wherein the structural formula of the smooth receptor ligand is A-linker-B, A is an extracellular domain ligand structure, B is a transmembrane domain ligand structure, and Linker isa linear subunit inactive to the smooth receptor. According to the novel double-end small molecule ligand for the smooth receptor, by combining the crystal structure data of the smooth receptor, a linker is introduced into the proper sites of an extracellular domain ligand and a transmembrane domain ligand to obtain brand-new double-end ligand small molecules, so that the interaction between the ligand and the receptor and the biological activity of the ligand are enhanced.

Divergent Late-Stage (Hetero)aryl C?H Amination by the Pyridinium Radical Cation

(Hetero)arylamines constitute some of the most prevalent functional molecules, especially as pharmaceuticals. However, structurally complex aromatics currently cannot be converted into arylamines, so instead, each product isomer must be assembled through a multistep synthesis from simpler building blocks. Herein, we describe a late-stage aryl C?H amination reaction for the synthesis of complex primary arylamines that other reactions cannot access directly. We show and rationalize through a mechanistic analysis the reasons for the wide substrate scope and the constitutional diversity of the reaction, which gives access to molecules that would not have been readily available otherwise.