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CAS 112808-22-7

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2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid

Description:
2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid, with CAS number 112808-22-7, is a synthetic organic compound characterized by its complex structure, which includes a benzoxazine ring and a thioxo group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and stability. The presence of the thioxo group suggests that it may participate in various chemical reactions, including nucleophilic attacks and redox processes. Additionally, the isopropyl substituents on the benzoxazine ring can influence its solubility and interaction with biological systems, potentially enhancing its lipophilicity. The acetic acid moiety may impart acidic characteristics, allowing for potential applications in medicinal chemistry or as a building block in organic synthesis. Overall, this compound's unique structural features may lead to interesting biological activities and applications in various fields, including pharmaceuticals and materials science. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C16H21NO3S
InChI:InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)
InChI key:InChIKey=CLDJCRWXLDLJLO-UHFFFAOYSA-N
SMILES:C(C)(C)C1=C2C(N(CC(O)=O)C(=S)C(C(C)C)O2)=CC=C1
Synonyms:
  • 2-(2,8-Diisopropyl-3-thioxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acid
  • AD 5467
  • 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-2,8-bis(1-methylethyl)-3-thioxo-
  • 2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid
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