1307314-04-0

Basic information

• Product Name: 1,3-difluoro-2-(3-methyl-1H-pyrazol-1-yl)benzene
• Synonyms: 1,3-difluoro-2-(3-methyl-1H-pyrazol-1-yl)benzene
• CAS NO: 1307314-04-0
• Molecular Weight: 194.184
• Mol File: 1307314-04-0.mol

Chemical Properties

• CAS DataBase Reference: 1,3-difluoro-2-(3-methyl-1H-pyrazol-1-yl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-difluoro-2-(3-methyl-1H-pyrazol-1-yl)benzene(1307314-04-0)
• EPA Substance Registry System: 1,3-difluoro-2-(3-methyl-1H-pyrazol-1-yl)benzene(1307314-04-0)

Safety Data

• Hazardous Substances Data: 1307314-04-0(Hazardous Substances Data)

Upstream product

• 1453-58-3 3-Methylpyrazole 
• 64248-56-2 1-bromo-2,6-difluorobenzene 
• 1128-54-7 3-methyl-1-phenyl-1H-pyrazole 

Downstream Products

• 1307314-03-9 1-(2,6-difluorophenyl)-3-methylpyrazole-4-carbaldehyde 
• 1307313-11-6 2-chloro-1'-[[1-(2,6-difluorophenyl)-3-methylpyrazol-4-yl]-methyl]-4,4-difluoro-4,5-dihydrospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (L)-tartrate 
• 1307313-27-4 1'-[[1-(2,6-difluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (L)-tartrate 
• 1307313-10-5 2-chloro-1'-[[1-(2,6-difluorophenyl)-3-methylpyrazol-4-yl]-methyl]-4,4-difluoro-4,5-dihydrospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] 

Relevant articles and documents

Palladium-Catalysed C-H Bond Electrophilic Fluorination of Highly Substituted Arylpyrazoles: Experimental and DFT Mechanistic Insights

A general protocol for palladium-catalysed C-H mono- and di-fluorination of highly substituted arylpyrazoles is reported. Coupling pathways and substrate limitations are discussed in the light of complementary mechanistic experimental and density functional theory (DFT) studies. The mono- and di-ortho-fluorination of arylpyrazoles having substituted pyrazole groups and ortho-, meta-, or para-substituted arene moieties is achieved. Various pyrazole groups can efficiently promote the direct C-H activation/fluorination of substrates bearing valuable reactive ester, cyano, halide and nitro functions. The presence of methoxy, methyl and trifluoromethyl is tolerated on the pyrazole directing groups. However, steric substituent effects have a marked influence which is evidenced by calculations. DFT modelling suggested also a previously unseen outer-sphere oxidative addition of N-fluorobenzenesulfonimide (NFSI) to Pd(II) as an alternative mechanism to the commonly assumed Pd(II)/Pd(IV) process. This unprecedented proposal, which is supported by the mass spectrometry identification of a key Pd(II) monomer under the stoichiometric conditions deserves more attention. The influence of elaborate highly substituted directing groups on the course of Pd-catalysed fluorination has generally received limited attention although this question has a crucial synthetic utility; herein, appropriate conditions for isolating pure products are reported.

Discovery of a novel series of orally active nociceptin/orphanin FQ (NOP) receptor antagonists based on a dihydrospiro(piperidine-4,7′-thieno[2,3- C ]pyran) scaffold

Nociceptin/OFQ (N/OFQ) is a 17 amino acid peptide that is the endogenous ligand for the ORL1/NOP receptor. Nociceptin appears to regulate a host of physiological functions such as biological reactions to stress, anxiety, mood, and drug abuse, in addition

SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS

An ORL-1 receptor antagonist of the formula: its uses, and methods for its preparation are described. ORL-1 antagonists are deemed to be useful in the treatment of depression and/or the treatment of overweight, obesity, and/or weight maintenance post treatment for overweight or obesity. Certain compounds have also demonstrated through animal models that the compounds of the present invention are useful for the treatment of migraines.