N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide | CAS No. 1185282-01-2

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

Basic Information

CAS Number

1185282-01-2

Molecular Formula

C20H21FN4O2

Molecular Weight

368.41 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (2.0E-3 g/L) (25 ºC),

CC([C@@H](C(=O)N)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C

InChI

InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1

InChIKey

AKOOIMKXADOPDA-KRWDZBQOSA-N

LogP

2.4634

Topological Polar Surface Area

90.00999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H370 Causes damage to organs
Specific target organ toxicity, single exposure

Synonyms & References

English

  • (S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
  • N-​[(1S)-​1-​(aminocarbonyl)-​2-​methylpropyl]-​1-​[(4-​fluorophenyl)methyl]-​1H-​indazole-​3-​carboxamide
  • AB-FUBINACA
  • AB-FUBINACA (exempt preparation)
  • AB-FUBINACA RM
  • AB-FUBINACA solution
  • N-[(1S)-1-(Aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
  • N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
  • AK142191
  • N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
  • N-[(1S)-1-(Aminocarbonyl)-2-methylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide (100 µg
  • SureCN1217062
  • WTI-11986

MDL Number

MFCD24368587

FAQ

What are the physical and chemical properties of N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (CAS: 1185282-01-2)?

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide is a solid with a crystalline form. Its molecular weight is approximately 432.35 g/mol. It has low solubility in water but is soluble in organic solvents like DMSO and ethanol. It is reactive towards nucleophiles and electrophiles. This compound can undergo hydrolysis under basic conditions and aromatic substitution reactions under certain conditions.

How is N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (CAS: 1185282-01-2) typically synthesized?

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide is typically synthesized through multi-step reactions involving benzylamine, fluoroaniline, and indazole derivatives. Commonly, a palladium-based catalyst is used to facilitate the cross-coupling reaction, leading to high selectivity and yield. Protective group techniques and purification methods are employed to ensure the quality of the final product.

What industries use N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (CAS: 1185282-01-2)?

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It also shows promise in the polymer industry for its unique chemical properties. Additionally, it may be used in sensor technology and semiconductor applications for its functional groups and structure.

What precautions should be taken when handling N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (CAS: 1185282-01-2)?

When handling N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin contact and inhalation. Safety data sheets (SDS) should be consulted for specific handling and disposal instructions. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate cleanup materials, and the area should be well-ventilated.

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