CAS 129973-74-6

Propanoic acid, 3-[(5-chloro-2-nitrophenyl)phenyl-d₅-amino]-3-oxo-, ethyl ester

Description:

Propanoic acid, 3-[(5-chloro-2-nitrophenyl)phenyl-d5-amino]-3-oxo-, ethyl ester, identified by CAS number 129973-74-6, is a chemical compound characterized by its complex structure, which includes a propanoic acid moiety, an ethyl ester functional group, and a substituted aromatic system. The presence of a chloro and nitro group on the phenyl ring contributes to its reactivity and potential biological activity. The deuterated phenyl-d5-amino group indicates that this compound may be used in studies requiring isotopic labeling, which can aid in tracking metabolic pathways or interactions in biological systems. This compound is likely to exhibit properties typical of carboxylic acids and esters, such as solubility in organic solvents and potential acidity. Its specific applications may vary, but it could be relevant in pharmaceutical research or as an intermediate in organic synthesis. Safety and handling precautions should be observed due to the presence of halogen and nitro groups, which can impart toxicity and environmental concerns.

Formula: C₁₇H₁₀ClD₅N₂O₅

InChI: InChI=1S/C17H15ClN2O5/c1-2-25-17(22)11-16(21)19(13-6-4-3-5-7-13)15-10-12(18)8-9-14(15)20(23)24/h3-10H,2,11H2,1H3/i3D,4D,5D,6D,7D

InChI key: InChIKey=ZRYOWWCGEBQSKY-DKFMXDSJSA-N

SMILES: N(C(CC(OCC)=O)=O)(C1=C(N(=O)=O)C=CC(Cl)=C1)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H]

Synonyms:

• Propanoic acid, 3-[(5-chloro-2-nitrophenyl)phenyl-d5-amino]-3-oxo-, ethyl ester

5'-Chloro-2'-nitro-N-phenyl-malonanilic Acid-d5 Ethyl Ester

Controlled Product

CAS: 129973-74-6

Applications Reagent used in the preparation of substituted labelled Benzodiazepines.

Formula: C₁₇H₁₀D₅ClN₂O₅

Color and Shape: Neat

Molecular weight: 367.8

Ref: TR-C374327