CAS 55474-41-4

α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile

Description:

α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile, with the CAS number 55474-41-4, is a chemical compound characterized by its unique structure that includes a dioxolane ring, a chlorophenyl group, and an acetonitrile moiety. This compound typically exhibits properties associated with both organic solvents and potential pharmaceutical intermediates. It is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the chlorophenyl group suggests potential biological activity, which may be of interest in medicinal chemistry. The dioxolane ring contributes to its stability and reactivity, making it a versatile compound in synthetic organic chemistry. Additionally, the acetonitrile functional group may impart polar characteristics, influencing its solubility in various organic solvents. Safety data should be consulted for handling, as compounds with similar structures may pose health risks. Overall, this compound's unique features make it a subject of interest in both research and industrial applications.

Formula: C₁₃H₁₄ClNO₂

InChI: InChI=1S/C13H14ClNO2/c1-2-13(16-7-8-17-13)12(9-15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-8H2,1H3

InChI key: InChIKey=YZCAFLAEZJEYSA-UHFFFAOYSA-N

SMILES: C(C#N)(C1(CC)OCCO1)C2=CC=C(Cl)C=C2

Synonyms:

• (4-Chlorophenyl)(2-Ethyl-1,3-Dioxolan-2-Yl)Acetonitrile
• 1,3-Dioxolane-2-acetonitrile, α-(4-chlorophenyl)-2-ethyl-
• 2-(4-Chlorophenyl)-2-(2-ethyl-1,3-dioxolan-2-yl)acetonitrile
• alpha-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile
• α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile

Pyrimethamine EP Impurity D

CAS: 55474-41-4

Formula: C₁₃H₁₄ClNO₂

Molecular weight: 251.71

Ref: ST-EA-CP-P114004

Pyrimethamine Impurity 1

CAS: 55474-41-4

Formula: C₁₃H₁₄ClNO₂

Molecular weight: 251.71

Ref: 4Z-P-154007

α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile

Controlled Product

CAS: 55474-41-4

Applications α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is an impurity of Pyrimethamine (P997240), a dihydrofolate reductase inhibitor; generally used in combination with other antimicrobial agents. Antiprotozoal (Toxoplasma); antimalarial.
References Loutfy, M.A., et al.: Anal. Profiles Drug Subs., 12, 463 (1983); Leport, C., et al.: Am. J. Med., 84, 94 (1988); McIntosh, H.M., et al.: Ann. Trop. Med., Parasitol., 93, 265 (1998); Plowe, C.V., et al.: Br. Med. J., 328, 545 (2004);

Formula: C₁₃H₁₄ClNO₂

Color and Shape: Neat

Molecular weight: 251.71

Ref: TR-C422235

α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile

CAS: 55474-41-4

α-(4-Chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile is a metabolite of the drug product α-[4-(chlorophenyl)phenoxy]ethanol. It has been used as an impurity standard for HPLC and as a pharmacopoeia.
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Formula: C₁₃H₁₄ClNO₂

Purity: Min. 95%

Molecular weight: 251.71 g/mol

Ref: 3D-FCA47441