2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid | CAS No. 1289942-66-0

2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid

Basic Information

CAS Number

1289942-66-0

Molecular Formula

C12H15FN2O3

Molecular Weight

254.26 g/mol

AD

Basic Physical Properties

Boiling Point

455 ºC

Flash Point

229 ºC

CC(C)(C(=O)O)NC1=CC(=C(C=C1)C(=O)NC)F

InChI

InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18)

InChIKey

IAAHEGARPMZSTJ-UHFFFAOYSA-N

LogP

1.4604000000000001

Topological Polar Surface Area

78.43 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

333

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methyl-propanoic Acid
  • 4SC-101
  • CHEMBL197194
  • 2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid
  • UNII-8Y1PJ3VG81
  • KB-81442
  • Vidofludimus [INN]
  • 2-(3-fluoro-4-methylcarbamoyl-phenylamino)-2-methyl-propionic acid
  • SureCN247888
  • 2-((3-fluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)carbamoyl)cyclopent-1-enecarboxylic acid
  • vidofludimus
  • 2-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-ene-carboxylic acid
  • 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid
  • 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)-amino)-2-methylpropanoic acid
  • Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-
  • Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl19
  • N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine
  • N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-Alanine
  • N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine(for Enzalutamide)
  • 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid
  • PD196177
  • 1289942-66-0
  • 2-{[3-FLUORO-4-(METHYLCARBAMOYL)PHENYL]AMINO}-2-METHYLPROPANOIC ACID
  • Enzalutamide ITS-2
  • MFCD22581651
  • N-[3-Fluoro-4-[(MethylaMino)carbonyl]phenyl]-2-Methylalanine
  • SY116162
  • 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoicacid
  • AMY16509
  • 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
  • 2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid;2-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid

MDL Number

MFCD22581651

FAQ

What are the physical and chemical properties of 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid (CAS: 1289942-66-0)?

2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid is a crystalline solid with a molecular weight of approximately 329.29 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. Chemically, it is relatively stable but can react with strong acids or bases under certain conditions. This compound is typically used in pharmaceutical applications due to its structural complexity and potential medicinal value.

How is 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid (CAS: 1289942-66-0) typically synthesized?

2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid is synthesized through a multi-step process involving the coupling of a fluoroaniline derivative with a methyl carbamate followed by condensation with an amino acid. The reaction is catalyzed by a transition metal such as palladium under conditions of microwave heating or other suitable methodologies. The overall yield is around 60-70%, with good selectivity towards the desired product.

What industries use 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid (CAS: 1289942-66-0)?

2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid finds applications in the pharmaceutical industry, particularly in the development of new drugs. Its complex structure and potential therapeutic value make it a valuable intermediate in the synthesis of novel medications. It is also explored in the field of polymer chemistry for its potential use in the formulation of advanced materials with specific properties.

What precautions should be taken when handling 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid (CAS: 1289942-66-0)?

Handling 2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid requires appropriate personal protective equipment (PPE), including gloves and goggles. This compound should be used in a well-ventilated area or under a fume hood to avoid inhalation. Spills should be cleaned up promptly using appropriate absorbent materials. The Material Safety Data Sheet (MSDS) should be consulted for detailed handling and disposal information to ensure safe laboratory practices.

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