CAS 10485-23-1

1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-2,4-dioxo-, chloride (1:1)

Description:

1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-2,4-dioxo-, chloride (1:1), with CAS number 10485-23-1, is a quaternary ammonium compound characterized by its cationic nature due to the presence of a positively charged nitrogen atom. This substance features a butyl group, which contributes to its hydrophobic characteristics, and an ethoxy group that enhances its solubility in organic solvents. The presence of the dioxo functional groups indicates potential reactivity, particularly in forming hydrogen bonds or participating in nucleophilic reactions. As a chloride salt, it is likely to be soluble in water, making it useful in various applications, including as a surfactant or in formulations requiring antimicrobial properties. The compound's structure suggests it may exhibit biological activity, potentially serving as a precursor in pharmaceutical synthesis or as a reagent in organic chemistry. However, specific safety and handling guidelines should be followed due to its quaternary ammonium nature, which can pose risks in certain concentrations.

Formula: C₉H₁₈NO₃·Cl

InChI: InChI=1S/C9H18NO3.ClH/c1-5-13-9(12)6-8(11)7-10(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChI key: InChIKey=PIZFOAZSELZFAS-UHFFFAOYSA-M

SMILES: C(C(C[N+](C)(C)C)=O)C(OCC)=O.[Cl-]

Synonyms:

• (3-Carboxyacetonyl)trimethylammonium chloride, ethyl ester
• (3E)-4-ethoxy-4-hydroxy-N,N,N-trimethyl-2-oxobut-3-en-1-aminium chloride
• 1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-2,4-dioxo-, chloride
• 1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-2,4-dioxo-, chloride (1:1)
• Ammonium, (3-carboxy-2-hydroxyallyl)trimethyl-, chloride, ethyl ester

Carnitine Chloride Impurity 9

CAS: 10485-23-1

Formula: C₉H₁₈ClNO₃

Molecular weight: 223.70

Ref: 4Z-C-7230

4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium Chloride

Controlled Product

CAS: 10485-23-1

Stability Hygroscopic
Applications 4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium Chloride is an intermediate in the synthesis of 3-Carboxy-N.N,N-trimethyl-2-oxo-1-propanaminium Chloride (C183230), which is a derivative of L-Carnitine (C184110).
References Brewer, F. et al.: Arch. Biochem. Biophys., 276, 495 (1990);

Formula: C₉H₁₈NO₃•Cl

Color and Shape: Neat

Molecular weight: 188.25 + 35.45

Ref: TR-E892985