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CAS 111955-05-6

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rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate

Description:
Rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate is an organic compound characterized by its bicyclic structure, which includes two carboxylate functional groups attached to a cyclohexane ring. This compound is a diester, indicating that it contains two ester functional groups derived from the reaction of cyclohexanedicarboxylic acid with methanol. The specific stereochemistry, denoted by the (1R,2S) configuration, suggests that the compound exhibits chirality, which can influence its reactivity and interactions in biological systems. Typically, compounds like this are used in organic synthesis and may serve as intermediates in the production of pharmaceuticals or agrochemicals. Its solubility, boiling point, and other physical properties would depend on the specific molecular interactions and the presence of functional groups. Safety data sheets would provide information on handling, storage, and potential hazards associated with this compound. Overall, rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate is notable for its structural features and potential applications in various chemical processes.
Formula:C9H14O4
InChI:InChI=1/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/s2
InChI key:InChIKey=BOVPVRGRPPYECC-JHPDDGAFNA-N
SMILES:C(OC)(=O)[C@H]1[C@@H](C(O)=O)CCCC1
Synonyms:
  • 1,2-Cyclohexanedicarboxylic acid, 1-methyl ester, (1R,2S)-rel-
  • 1,2-Cyclohexanedicarboxylic acid, monomethyl ester, (1R,2S)-rel-
  • 1,2-Cyclohexanedicarboxylic acid, monomethyl ester, cis-
  • 1,2-cyclohexanedicarboxylic acid, monomethyl ester, (1S,2R)-
  • NSC 53943
  • cis-2-Carbomethoxycyclohexanecarboxylic acid
  • rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate
  • (1R,2S)-2-(Methoxycarbonyl)cyclohexanecarboxylic acid
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