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

Description

4-Chloro-3-(pyridin-2-yl)aniline is an organic compound characterized by the presence of a chloro group at the 4-position and a pyridin-2-yl group at the 3-position on an aniline backbone. It is a versatile intermediate in the synthesis of various chemical compounds and pharmaceuticals.

Uses

Used in Pharmaceutical Industry:
4-Chloro-3-(pyridin-2-yl)aniline is used as a key intermediate in the synthesis of smoothened (Smo) antagonists, which are important for targeting the Hedgehog signaling pathway. This pathway plays a crucial role in embryonic development, tissue regeneration, and stem cell maintenance. Smo antagonists have potential applications in the treatment of various cancers and genetic disorders associated with the dysregulation of the Hedgehog signaling pathway.
Used in Chemical Synthesis:
4-Chloro-3-(pyridin-2-yl)aniline is also used as a reagent in the preparation of various chemical compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structural features make it a valuable building block for the development of new molecules with potential applications in various industries.

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 
• 4253-79-6 2-(3-nitrophenyl)pyridine 
• 958646-69-0 (5-amino-2-chlorophenyl)boronic acid 
• 879088-40-1 2-(2-chloro-5-nitrophenyl)-pyridine 
• 81745-83-7 pyridin-2-ylzinc(ll) bromide 
• 4381-32-2 2-(2-chlorophenyl)pyridine 
• 675-20-7 piperidin-2-one 
• 2142-68-9 1-(2-chlorophenyl)ethanone 
• 694-80-4 2-bromo-1-chlorobenzene 
• 100-00-5 4-chlorobenzonitrile 

Downstream Products

• 879085-70-8 N-(3-(3,5-bis(trifluoromethyl)phenyl)propyl)-4-chloro-3-(pyridin-2-yl)benzenamine 
• 879088-87-6 C₁₈H₁₃Cl₂N₃O 
• 879087-10-2 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)benzamide 
• 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.

Selective Late-Stage Oxygenation of Sulfides with Ground-State Oxygen by Uranyl Photocatalysis

Oxygenation is a fundamental transformation in synthesis. Herein, we describe the selective late-stage oxygenation of sulfur-containing complex molecules with ground-state oxygen under ambient conditions. The high oxidation potential of the active uranyl cation (UO22+) enabled the efficient synthesis of sulfones. The ligand-to-metal charge transfer process (LMCT) from O 2p to U 5f within the O=U=O group, which generates a UV center and an oxygen radical, is assumed to be affected by the solvent and additives, and can be tuned to promote selective sulfoxidation. This tunable strategy enabled the batch synthesis of 32 pharmaceuticals and analogues by late-stage oxygenation in an atom- and step-efficient manner.