(2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid | CAS No. 57079-11-5

(2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid

Basic Information

CAS Number

57079-11-5

Molecular Formula

C7H9NO5

Molecular Weight

187.15 g/mol

AD

Basic Physical Properties

C(CNC(=O)/C=C\C(=O)O)C(=O)O

InChI

InChI=1S/C7H9NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-2H,3-4H2,(H,8,9)(H,10,11)(H,12,13)/b2-1-

InChIKey

JYXLDXBKFBWKOV-UPHRSURJSA-N

LogP

-0.7818999999999994

Topological Polar Surface Area

103.7 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Synonyms & References

English

  • CIS-5-AZA-4-OXO-OCT-2-EN-DIOIC ACID
  • LogP
  • 4-(2-carboxyethylamino)-4-oxobut-2-enoic acid
  • MAΒA

MDL Number

MFCD07367656

Customs Code

2924199090

FAQ

What are the physical and chemical properties of (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid (CAS: 57079-11-5)?

The compound (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid is a white crystalline solid with a molecular weight of 231.25 g/mol. It has a high solubility in water and poor solubility in organic solvents. The compound exhibits typical acidic properties due to the carboxylic acid group and can form salts with suitable bases. It is relatively stable under normal conditions but may undergo hydrolysis under strongly acidic or basic conditions.

How is (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid (CAS: 57079-11-5) typically synthesized?

The compound can be synthesized through a multistep process involving the amide coupling of 2-carboxyethylamine with 4-oxo-2-butenoic acid. This reaction is typically catalyzed by a transition metal complex or an organometallic compound. The process involves the formation of a key intermediate followed by the coupling step, which yields the target compound with good selectivity and moderate to high yield.

What industries use (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid (CAS: 57079-11-5)?

The compound (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid is used in the pharmaceutical industry for its biological activities. It may also find applications in the polymer industry as a monomer or additive. Additionally, it could be used in the development of sensors and semiconductors due to its chemical reactivity and functional groups.

What precautions should be taken when handling (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid (CAS: 57079-11-5)?

When handling (2Z)-4-[(2-Carboxyethyl)amino]-4-oxo-2-butenoic acid, it is important to use appropriate personal protective equipment (PPE), including gloves and goggles. The compound should be handled in a well-ventilated area or a fume hood to avoid inhaling dust or vapor. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

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