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Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate(CAS: 26774-89-0)

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate
CAS Number

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Basic Information

Molecular Formula
C13H16NNaO4
Molecular Weight
273.26 g/mol

Physical Properties

Melting Point
240 °C (dec.) (lit.)
Boiling Point
°Cat760mmHg
Flash Point
°C

Chemical Identifiers

SMILES
CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]
InChIKey
XWVDGMIXJIIFTO-UUFRONBISA-M

Database References

MDL Number
MFCD00196811

FAQ

Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate has a crystalline form and is a white or off-white solid. Its molecular weight is approximately 452.47 g/mol. The compound is soluble in ethanol and methanol, but less soluble in water. It is highly reactive towards strong acids and bases. It can undergo various organic reactions such as esterification, amidation, and nucleophilic substitution.
Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate is typically synthesized via amidation of (2Z)-4-methoxy-4-oxo-2-buten-2-yl chloride with sodium (2R)-1,4-cyclohexadien-1-yl acetate. Commonly used catalysts include triethylamine. The yield is typically around 70-80%, and the reaction is carried out under anhydrous conditions to avoid side reactions.
Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate is used in the pharmaceutical industry for the synthesis of novel drugs. It is also utilized in polymer chemistry for the modification of polymer properties. Additionally, it has applications in the development of sensors and semiconductors due to its specific functional groups that can be used for various analytical and electronic purposes.
When handling Sodium (2R)-1,4-cyclohexadien-1-yl{[(2Z)-4-methoxy-4-oxo-2-buten-2-yl]amino}acetate, it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The reaction should be conducted in a well-ventilated fume hood to avoid inhaling the fumes. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Yang Qin

Email

1462312301@qq.com