400877-26-1

Basic information

• Product Name: 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde
• Synonyms: UKRORGSYN-BB BBV-076407;1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE);1-(3-Chlorophenyl)pyrazole-4-carbaldehyde;1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde
• CAS NO: 400877-26-1
• Molecular Formula: C₁₀H₇ClN₂O
• Molecular Weight: 206.63
• Mol File: 400877-26-1.mol

Chemical Properties

• Boiling Point: 352.2°C at 760 mmHg
• Flash Point: 166.8°C
• Appearance: /
• Density: 1.3g/cm³
• Vapor Pressure: 3.9E-05mmHg at 25°C
• Refractive Index: 1.623
• Storage Temp.: 2-8°C
• PKA: -2.95±0.12(Predicted)
• CAS DataBase Reference: 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde(400877-26-1)
• EPA Substance Registry System: 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde(400877-26-1)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 400877-26-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde is used as an active pharmaceutical ingredient for its antiparasitic and antibacterial properties, contributing to the development of treatments for various infections and diseases.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde is used as a key intermediate, facilitating the creation of a range of complex organic compounds.
Used in Drug Development:
1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde is utilized as a building block in the preparation of new drugs, playing a crucial role in the advancement of pharmaceutical research and development.
Used in Agrochemical Development:
1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde is also used in the development of new agrochemicals, potentially contributing to the creation of more effective pesticides and other agricultural products to protect crops and enhance yields.

InChI:InChI=1/C10H7ClN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H

Upstream product

• 108-90-7 chlorobenzene 
• 35344-95-7 1H-pyrazole-4-carbaldehyde 
• 100-97-0 hexamethylenetetramine 
• 57211-65-1 1-(3-chloro-phenyl)-1H-pyrazole 
• 14763-20-3 3-chlorophenyl hydrazine 
• 863609-07-8 [1-(3-chlorophenyl)-1H-pyrazol-4-yl] methanol 

Downstream Products

• 863609-08-9 1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanol 

Relevant articles and documents

Electrophotocatalysis with a Trisaminocyclopropenium Radical Dication

Visible-light photocatalysis and electrocatalysis are two powerful strategies for the promotion of chemical reactions. Here, these two modalities are combined in an electrophotocatalytic oxidation platform. This chemistry employs a trisaminocyclopropenium (TAC) ion catalyst, which is electrochemically oxidized to form a cyclopropenium radical dication intermediate. The radical dication undergoes photoexcitation with visible light to produce an excited-state species with oxidizing power (3.33 V vs. SCE) sufficient to oxidize benzene and halogenated benzenes via single-electron transfer (SET), resulting in C?H/N?H coupling with azoles. A rationale for the strongly oxidizing behavior of the photoexcited species is provided, while the stability of the catalyst is rationalized by a particular conformation of the cis-2,6-dimethylpiperidine moieties.

Chemoselective and regiospecific formylation of 1-phenyl-1H-pyrazoles through the duff reaction

The synthesis of formylated 1-phenyl-1H-pyrazole derivatives under the Duff reaction conditions is reported. Our results indicate that 1-phenyl-1H-pyrazole systems containing electron-withdrawing and electron-donating substituents at the phenyl moiety rea

Complete assignment of NMR data of 22 phenyl-1H-pyrazoles' derivatives

Complete assignment of 1H and 13C NMR chemical shifts and J(1H/1H and 1H/19F) coupling constants for 22 1-phenyl-1H-pyrazoles' derivates were performed using the concerted application of 1H 1D and 1H, 13C 2D gs-HSQC and gs-HMBC experiments. All 1-phenyl-1H-pyrazoles' derivatives were synthesized as described by Finar and co-workers. The formylated 1-phenyl-1H-pyrazoles' derivatives were performed under Duff's conditions. Copyright

TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS

The present invention relates to new compounds of formula (I), wherein P, Q, X1, X2, X3, X4 X7, X8, R1, R2, R3, m, n, and p are as defined as in formula (I)