(E)-4-(trimethylammonio)but-2-enoate

Basic Information

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CAS Number

927-89-9

Molecular Formula

C7H13NO2

Molecular Weight

143.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

°Cat760mmHg

SMILES

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C[N+](C)(C)CC=CC(=O)[O-]

InChI

InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+

InChIKey

GUYHPGUANSLONG-SNAWJCMRSA-N

LogP

-1.00130

Complexity

139

Synonyms & References

English

2-Propen-1-aminium,3-carboxy-N,N,N-trimethyl-, inner salt
Crotonobetaine Also See C818805
(E)-4-(trimethylazaniumyl)but-2-enoate
(Z)-4-(trimethylammonio)but-2-enoate
Crotonobetaine
Crotonobetaine Also See C818805
CROTONYLBETAINE(CARNITINE IMPURITY)(RG)
Apocarnitin
Croton betaine
Crotonbetain
Crotonic acid betaine
Crotonsaeure-betain
(3-Carboxyallyl)trimethylammonium hydroxide inner salt
Z)-4-(Trimethylammonio)but-2-enoate
(E/Z)-4-(Trimethylammonio)but-2-enoate
(3-Carboxyallyl)trimethylammonium hydroxide, inner salt (6CI, 7CI)
Ammonium, (3-carboxyallyl)trimethyl-, hydroxide, inner salt (8CI)
2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
(2E)-4-(trimethylammonio)but-2-enoate
G15783
2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt (9CI)
CHEMBL3234369
4-trimethyl-ammonio-2-butenoate
crotonoylbetaine
(E)-4-(trimethylamino)but-2-enoate
UNII-ZJ9SA2P3K7
(3-Carboxyallyl)trimethylammonium hydroxide, inner salt (6CI,7CI)
Ammonium, (3-carboxyallyl)trimethyl-, hydroxide, inner salt
Crotonsaeurebetain [German]
C04114
Q24644559

MDL Number

MFCD01674861

FAQ

What are the physical and chemical properties of (E)-4-(trimethylammonio)but-2-enoate (CAS: 927-89-9)?

(E)-4-(Trimethylammonio)but-2-enoate is a colorless to white solid with a molecular weight of approximately 169.26 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. This compound is relatively stable under normal conditions but may react with strong acids or bases. It is a chiral compound with potential for enantiomeric separation and has been used in various applications due to its unique chemical structure.

How is (E)-4-(trimethylammonio)but-2-enoate (CAS: 927-89-9) typically synthesized?

The synthesis of (E)-4-(trimethylammonio)but-2-enoate often involves the reaction of trimethylamine with but-2-enoyl chloride. This process can be conducted in the presence of a suitable base such as triethylamine to enhance the reaction yield. The use of a phase-transfer catalyst can also improve the selectivity and efficiency of the reaction. The product can then be purified by recrystallization or column chromatography.

What industries use (E)-4-(trimethylammonio)but-2-enoate (CAS: 927-89-9)?

(E)-4-(Trimethylammonio)but-2-enoate has found applications in the pharmaceutical industry for its chiral properties, which can be useful in drug development. It is also employed in the polymer industry for certain functional group modifications. Additionally, it has potential uses in sensors and as a precursor in semiconductor materials due to its unique chemical structure and reactivity.

What precautions should be taken when handling (E)-4-(trimethylammonio)but-2-enoate (CAS: 927-89-9)?

When handling (E)-4-(trimethylammonio)but-2-enoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.