1216260-42-2

Basic information

• Product Name: 4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one
• Synonyms: 4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one
• CAS NO: 1216260-42-2
• Molecular Weight: 218.631
• Mol File: 1216260-42-2.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 293.5±30.0 °C(Predicted)
• Density: 1.258±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one(1216260-42-2)
• EPA Substance Registry System: 4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one(1216260-42-2)

Safety Data

• Hazardous Substances Data: 1216260-42-2(Hazardous Substances Data)

Usage

General Description

4‐chloro‐1‐(2,5-difluorophenyl)butan-1-one is a chemical compound with the molecular formula C10H10ClF2O. It is a chlorinated ketone derivative with a substituted phenyl group and a fluorinated butanone chain. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It can also be used as a building block for the preparation of various organic compounds, including those used in the production of pesticides and insecticides. Additionally, it is known for its potential use in medicinal chemistry and drug discovery research due to its structural features and reactivity. However, it is important to handle this compound with caution due to its potential health hazards and toxicity.

Upstream product

• 540-36-3 para-difluorobenzene 
• 4635-59-0 4-Chlorobutanoyl chloride 
• 64214-66-0 N-Methyl-N-methoxy-4-chlorobutanamide 
• 399-94-0 2-bromo-1,4-difluorobenzene 

Downstream Products

• 1443538-87-1 (R)-ethyl 5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxylate 
• 1443538-88-2 (R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid 
• 1443536-91-1 (R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)-N-((4-fluorophenyl)sulfonyl)pyrazolo[1,5-a]pyridine-3-carboxamide 
• 1443536-92-2 (R)-N-(tert-butylsulfonyl)-5-(2-(2, 5-difluorophenyl)pyrrolidin-1-yl) pyrazolo[1,5-a]pyridine-3-carboxamide 
• 1218935-60-4 (2R)-2-(2,5-difluorophenyl)pyrrolidine hydrochloride 
• 1443537-65-2 (R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)-N-(N,N-dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide 
• 1443538-30-4 (S,E)-N-(4-chloro-1-(2,5-difluorophenyl)butylidene)-2-methylpropane-2-sulfinamide 
• 1443623-92-4 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole 

Relevant articles and documents

Structure-Kinetic Profiling of Haloperidol Analogues at the Human Dopamine D2 Receptor

Haloperidol is a typical antipsychotic drug (APD) associated with an increased risk of extrapyramidal side effects (EPSs) and hyperprolactinemia relative to atypical APDs such as clozapine. Both drugs are dopamine D2 receptor (D2R) antagonists, with contrasting kinetic profiles. Haloperidol displays fast association/slow dissociation at the D2R, whereas clozapine exhibits relatively slow association/fast dissociation. Recently, we have provided evidence that slow dissociation from the D2R predicts hyperprolactinemia, whereas fast association predicts EPS. Unfortunately, clozapine can cause severe side effects independent of its D2R action. Our results suggest an optimal kinetic profile for D2R antagonist APDs that avoids EPS. To begin exploring this hypothesis, we conducted a structure-kinetic relationship study of haloperidol and revealed that subtle structural modifications dramatically change binding kinetic rate constants, affording compounds with a clozapine-like kinetic profile. Thus, optimization of these kinetic parameters may allow development of novel APDs based on the haloperidol scaffold with improved side-effect profiles.

Neurotrophic factor tyrosine kinase receptor inhibitor

The invention provides a neurotrophic factor tyrosine kinase receptor inhibitor. The tyrosine kinase receptor inhibitor provided by the invention has a tricyclic parent core structure, can inhibit theactivity of Trk kinase and can be used for treating mammalian diseases mediated by the Trk kinase.

Preparation method of larotrectinib intermediate

The invention discloses a preparation method of a larotrectinib intermediate. The larotrectinib intermediate is a compound of a formula I. The preparation method comprises step a or steps b to c in asynthetic route shown in the specification. The compound (4-chloro-1-(2,5-difluorophenyl)-tetra-1-ketone) of a formula II is taken as a raw material, the larotrectinib intermediate 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole can be prepared only through a one-step or two-step reaction, the preparation method has the advantages of being simple in operation, low in production cost, mild in reaction condition and the like, and the preparation method has extremely high practical value for realizing the industrialization of 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole and larotrectinib.