Methyl (2Z)-3-amino-2-butenoate

Basic Information

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CAS Number

21731-17-9

Molecular Formula

C5H9NO2

Molecular Weight

115.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

194.1±13.0 ºC (760 Torr),

Flash Point

65.3±17.4 ºC,

SMILES

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COC(=O)\C=C(\C)N

InChI

InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-

InChIKey

XKORCTIIRYKLLG-ARJAWSKDSA-N

LogP

0.02189999999999992

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

methyl 3-aminocrotonate
2-Butenoic acid, 3-amino-, methyl ester
methyl 3-amino-trans-but-2-enoate
3-Aminocrotonic acid methyl ester
Methyl-3-amino crotonate
methyl 3-aminobut-2-enoate
methyl (2E)-3-aminobut-2-enoate
methyl (2Z)-3-aminobut-2-enoate
methyl (3E)-3-iminobutanoate
Methyl β-aminobutenate
Methyl 3-aminocroton
methyl (E)-3-aminobut-2-enoate
2-Butenamide,3-amino
3-amino-2-butenoic acid,methyl ester
3-AMino-but-2-enaMide
3-Aminocrotonamide,tech.
3-amino-crotonic acid methyl ester
3-Aminocrotonsaeureamid
methyl 3-amino-2-butenoate
methyl 3-amino-crotonate
Methyl (2Z)-3-amino-2-butenoate

MDL Number

MFCD00071534

FAQ

What are the physical and chemical properties of Methyl (2Z)-3-amino-2-butenoate (CAS: 21731-17-9)?

Methyl (2Z)-3-amino-2-butenoate is a crystalline solid with a molecular weight of approximately 131.15 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetone. It is moderately reactive, particularly towards nucleophiles and reducing agents. The compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Methyl (2Z)-3-amino-2-butenoate (CAS: 21731-17-9) typically synthesized?

Methyl (2Z)-3-amino-2-butenoate is typically synthesized via a one-pot reaction between methyl vinyl ketone and ammonia in the presence of a strong base like sodium hydroxide. The reaction is selective and yields the (2Z)-isomer with good efficiency. The product is isolated and purified by recrystallization from an appropriate solvent.

What industries use Methyl (2Z)-3-amino-2-butenoate (CAS: 21731-17-9)?

Methyl (2Z)-3-amino-2-butenoate is used in the pharmaceutical industry for the synthesis of certain drugs due to its amino functionality. It is also utilized in the polymer industry for the modification of polymer properties and in the sensing industry for the development of specific chemical sensors. Additionally, it has potential applications in the semiconductor industry for certain chemical processes.

What precautions should be taken when handling Methyl (2Z)-3-amino-2-butenoate (CAS: 21731-17-9)?

When handling Methyl (2Z)-3-amino-2-butenoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its potential irritancy. Spills should be cleaned up with caution using appropriate absorbent materials. The material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures.