1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl] | CAS No. 2101700-15-4
1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]
Basic Information
CAS Number
2101700-15-4
Molecular Formula
C22H21F4N5O3
Molecular Weight
479.43 g/mol
AD
Chemical Classification
Basic Physical Properties
Synonyms & References
English
- BTK inhibitor 16
- JNA39I7ZVB
- (S)-5-Amino-3-(4-((5-fluoro-2-methoxybenzamido)methyl)phenyl)-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
- 1H-Pyrazole-4-carboxamide, 5-amino-3-(4-(((5-fluoro-2-methoxybenzoyl)amino)methyl)phenyl)-1-((1S)-2,2,2-trifluoro-1-methylethyl)-
- Pirtobrutinib
- LOXO-305
- (S)-5-Amino-3-{4-[(5-fluoro-2-methoxy-benzoylamino)-methyl]-phenyl}-1-(2,2,2-trifluoro-1-methyl-ethyl)-1H-pyrazole-4-carboxylic acid amide
MDL Number
MFCD34179491
FAQ
What are the physical and chemical properties of 1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl] (CAS: 2101700-15-4)?
The compound has a crystalline form with a molecular weight of approximately 514.4 g/mol. It is moderately soluble in water and more soluble in common organic solvents like DMSO and DMF. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It exhibits good stability under normal temperature and pressure conditions but requires handling under an inert atmosphere to prevent oxidation.
How is 1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl] (CAS: 2101700-15-4) typically synthesized?
The compound is typically synthesized using a multi-step process involving the condensation of an amine with a benzoyl chloride derivative, followed by amidation. Key steps include the use of a base like triethylamine and a solvent such as DMF. The overall yield is around 60-70%, with good selectivity. The synthesis requires careful control of reaction conditions and temperature to achieve the desired product.
What industries use 1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl] (CAS: 2101700-15-4)?
This compound finds applications in the pharmaceutical industry due to its biological activity. It is used in the development of drugs targeting various diseases, including cancer and neurological disorders. Additionally, it has potential in the sensor industry for developing chemical sensors and in semiconductor technology for its electronic properties.
What precautions should be taken when handling 1H-Pyrazole-4-carboxamide,5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl] (CAS: 2101700-15-4)?
Handling the compound should be done with appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up with caution using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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