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CAS 1020719-23-6

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2-Butyne-1,1,4,4-d<sub>4</sub>-1,4-diol, 1,4-diacetate

Description:
2-Butyne-1,1,4,4-d4-1,4-diol, 1,4-diacetate is a deuterated derivative of 2-butyne, featuring a unique structure that includes a diol and diacetate functional groups. The presence of deuterium (D) atoms in place of hydrogen (H) enhances its stability and alters its physical properties, making it useful in various chemical applications, particularly in studies involving isotopic labeling. This compound typically exhibits characteristics such as a relatively low boiling point and moderate solubility in organic solvents due to the presence of both hydrophilic (diol) and hydrophobic (acetate) groups. Its reactivity is influenced by the functional groups, allowing for potential participation in esterification and other organic reactions. The compound's specific applications may include use in synthetic organic chemistry, pharmaceuticals, and as a tracer in metabolic studies. Overall, 2-Butyne-1,1,4,4-d4-1,4-diol, 1,4-diacetate is a versatile chemical with unique isotopic properties that can be leveraged in various scientific fields.
Formula:C8H6D4O4
InChI:InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3/i5D2,6D2
InChI key:InChIKey=TVIMIQVBDDNCCR-NZLXMSDQSA-N
SMILES:C(OC(C)=O)(C#CC(OC(C)=O)([2H])[2H])([2H])[2H]
Synonyms:
  • 2-Butyne-1,1,4,4-d4-1,4-diol, 1,4-diacetate
  • 1,4-Diacetoxy-2-butyne-d4
  • -1,4-diol 1,4-diacetate
  • 2-Butyne-1,1,4,4-d
  • 4
  • 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4, DIACETATE
  • NSC 76565-d4
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