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CAS 1894988-80-7

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Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, 3,4,5,6-tetrahydro-, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)

Description:
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, 3,4,5,6-tetrahydro-, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1) is a complex organic compound characterized by its unique bicyclic structure, which includes a pyrrole moiety fused to another pyrrole ring. This compound features a carboxylic acid derivative, indicating the presence of a carboxyl functional group, and is further modified by the presence of a tert-butyl ester, enhancing its lipophilicity and stability. The sulfonate group, derived from 4-methylbenzenesulfonic acid, contributes to the compound's solubility in polar solvents and may influence its reactivity and interaction with biological systems. The compound's molecular structure suggests potential applications in organic synthesis, materials science, or medicinal chemistry, particularly in the development of dyes or pharmaceuticals. Its specific properties, such as melting point, solubility, and reactivity, would depend on the overall molecular interactions and the presence of substituents, making it a subject of interest for further research in various chemical fields.
Formula:C11H18N2O2·C7H8O3S
InChI:InChI=1S/C11H18N2O2.C7H8O3S/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13;1-6-2-4-7(5-3-6)11(8,9)10/h12H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChI key:InChIKey=VDXXLIZGESAQNY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC2=C(C1)CNC2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, 3,4,5,6-tetrahydro-, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)
  • tert-Butyl 1H,2H,3H,4H,5H,6H-pyrrolo[3,4-c]pyrrole-2-carboxylate 4-methylbenzenesulfonic acid
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