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CAS 136587-00-3

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DI-T-BUTYL 4-[2-(T-BUTOXYCARBONYL)ETHYL]-4-NITROHEPTANEDICARBOXYLATE

Description:
Di-t-butyl 4-[2-(t-butoxycarbonyl)ethyl]-4-nitroheptanedicarboxylate is a complex organic compound characterized by its functional groups and structural features. It contains multiple ester linkages due to the presence of t-butyl and t-butoxycarbonyl groups, which contribute to its stability and solubility in organic solvents. The nitro group attached to the heptane backbone introduces a degree of polarity and can influence the compound's reactivity, particularly in electrophilic substitution reactions. This substance is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure suggests it may exhibit specific steric hindrance due to the bulky t-butyl groups, which can affect its interaction with other molecules. Additionally, the presence of multiple carboxylate functionalities indicates potential for forming salts or participating in further chemical transformations. Safety data sheets should be consulted for handling and storage guidelines, as compounds with nitro groups can pose hazards.
Formula:C22H39NO8
InChI:InChI=1/C22H39NO8/c1-19(2,3)29-16(24)10-13-22(23(27)28,14-11-17(25)30-20(4,5)6)15-12-18(26)31-21(7,8)9/h10-15H2,1-9H3
SMILES:CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N(=O)=O
Synonyms:
  • Nitrotriester
  • Di-Tert-Butyl-4-Nitro-4-(2-Boc Ethyl)Heptanedioate
  • Di-Tert-Butyl 4-Nitro-4-(2-Tert-Butoxycarbonylethyl)Heptanedioate
  • Di-Tert-Butyl 4-(3-Tert-Butoxy-3-Oxopropyl)-4-Nitroheptanedioate
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