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CAS 959236-78-3

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1-(Phenylmethyl) 4-methyl-1,3-pyrrolidinedicarboxylate

Description:
1-(Phenylmethyl)-4-methyl-1,3-pyrrolidinedicarboxylate, identified by its CAS number 959236-78-3, is a chemical compound characterized by its pyrrolidine core, which features two carboxylate groups and a phenylmethyl substituent. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, reflecting its moderate polarity due to the presence of the carboxylate groups. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the pyrrolidine ring, which is often associated with bioactive compounds. Its synthesis may involve multi-step organic reactions, including esterification and ring formation. The compound's reactivity can be influenced by the functional groups present, making it a candidate for further chemical modifications. Safety data and handling precautions should be considered, as with any chemical substance, to ensure proper laboratory practices. Overall, 1-(Phenylmethyl)-4-methyl-1,3-pyrrolidinedicarboxylate represents a versatile structure in organic synthesis and medicinal chemistry.
Formula:C14H17NO4
InChI:InChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)
InChI key:InChIKey=BBGSNKXBKDVHPM-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)N2CC(C(O)=O)C(C)C2
Synonyms:
  • 1-(Phenylmethyl) 4-methyl-1,3-pyrrolidinedicarboxylate
  • 1,3-Pyrrolidinedicarboxylic acid, 4-methyl-, 1-(phenylmethyl) ester
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