CAS 94088-68-3

1,3-Diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate

Description:

1,3-Diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate, with the CAS number 94088-68-3, is an organic compound characterized by its complex structure, which includes a propanedioate backbone substituted with diethyl groups and a 2-chloro-5-nitrobenzoyl moiety. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of aromatic and aliphatic groups. The presence of the nitro and chloro substituents suggests that it may exhibit notable reactivity, particularly in electrophilic aromatic substitution reactions. Additionally, the compound may possess biological activity, making it of interest in medicinal chemistry and synthetic applications. Its synthesis often involves multi-step organic reactions, and it may be used as an intermediate in the production of more complex molecules. Safety data should be consulted, as the presence of nitro and chloro groups can indicate potential toxicity or environmental hazards.

Formula: C₁₄H₁₄ClNO₇

InChI: InChI=1S/C14H14ClNO7/c1-3-22-13(18)11(14(19)23-4-2)12(17)9-7-8(16(20)21)5-6-10(9)15/h5-7,11H,3-4H2,1-2H3

InChI key: InChIKey=DGWXMMOJNMGHRO-UHFFFAOYSA-N

SMILES: C(C(=O)C1=CC(N(=O)=O)=CC=C1Cl)(C(OCC)=O)C(OCC)=O

Synonyms:

• Diethyl (2-chloro-5-nitrobenzoyl)malonate
• 1,3-Diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate
• Propanedioic acid, (2-chloro-5-nitrobenzoyl)-, diethyl ester
• diethyl [(2-chloro-5-nitrophenyl)carbonyl]propanedioate
• Propanedioic acid, 2-(2-chloro-5-nitrobenzoyl)-, 1,3-diethyl ester

Vismodegib Impurity 2

CAS: 94088-68-3

Formula: C₁₄H₁₄ClNO₇

Molecular weight: 343.72

Ref: 4Z-V-055008