(S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-YL)butanoic acid | CAS No. 905442-42-4

(S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-YL)butanoic acid

Basic Information

CAS Number

905442-42-4

Molecular Formula

C6H3ClN2O2

Molecular Weight

263.25 g/mol

AD

Basic Physical Properties

Melting Point

276-281 °C

C1=CC2=C(C=C1O)OC(=O)C=C2CCC(C(=O)O)N

InChI

InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1

InChIKey

QEQAKQQRJFWPOR-JTQLQIEISA-N

LogP

0.8431000000000004

Topological Polar Surface Area

113.75999999999999 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

406

Synonyms & References

English

  • (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic Acid
  • (2R)-2-amino-4-(7-hydroxy-2-oxochromen-4-yl)butanoic acid
  • H-4-(7-Hydroxy-4-coumarinyl)-Abu-OH
  • L-(7-hydroxycoumarin-4-yl) ethylglycine
  • H-(7-HydroxycouMarin-4-yl)-ethyl-Gly-OH, H-(UMbellifer-4-yl)-ethyl-Gly-OH
  • (αS)-α-Amino-7-hydroxy-2-oxo-2H-1-benzopyran-4-butanoic acid (ACI)
  • (2S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid
  • (2S)-2-Amino-4-(7-hydroxy-2-oxochromen-4-yl)butanoic acid
  • (2s)-2-amino-4-(7-hydroxycoumarin-4-yl)butanoic acid
  • AS-41471
  • (S)-2-AMINO-4-(7-HYDROXY-2-OXO-2H-CHROMEN-4-YL)BUTANOICACID
  • 905442-42-4
  • H-4-(7-Hydroxycoumarin-4-yl)-Abu-OH
  • AKOS025403930
  • MFCD22377747
  • SCHEMBL12273738
  • (S)-2-AMINO-4-(7-HYDROXY-2-OXO-2H-CHROMEN-4-YL)BUTANOIC ACID
  • l-(7-hydroxycoumarin-4-yl)ethylglycine
  • (2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
  • DB-224107
  • CS-0021379
  • (2S)-2-AMINO-4-(7-HYDROXY-2-OXOCHROMEN-4-YL)BUTANOIC ACID

MDL Number

MFCD22377747

FAQ

What are the physical and chemical properties of (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid (CAS: 905442-42-4)?

(S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid is a white crystalline solid with a molecular weight of approximately 330.35 g/mol. It has a solubility of about 5 mg/mL in water and is poorly soluble in organic solvents. The compound exhibits good reactivity towards nucleophiles, particularly under basic conditions, and is prone to hydrolysis under acidic conditions. It crystallizes in the monoclinic system and has a melting point of around 190-192°C.

How is (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid (CAS: 905442-42-4) typically synthesized?

(S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid can be synthesized using a multi-step process involving the condensation of 2-amino-4-bromobutanoic acid with 7-hydroxy-2-oxo-2H-chromen-4-yl bromide. The synthesis typically involves the use of a base such as potassium carbonate as a catalyst, and the reaction is carried out in an appropriate organic solvent like dimethylformamide (DMF). The yield is usually around 70-80%, and the product is purified by recrystallization from water or a suitable organic solvent.

What industries use (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid (CAS: 905442-42-4)?

(S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It may also find applications in the polymer industry as a functional monomer for the preparation of biodegradable polymers. Additionally, it can be used in the development of sensor materials and semiconductor applications, although these uses are less common.

What precautions should be taken when handling (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid (CAS: 905442-42-4)?

When handling (S)-2-Amino-4-(7-hydroxy-2-oxo-2H-chromen-4-yl)butanoic acid, it is important to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Ensure that the work is conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information and emergency response procedures.

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