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CAS 120219-17-2

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(2S,3S)-2-Isocyanato-3-methylvaleric Acid Methyl Ester

Description:
(2S,3S)-2-Isocyanato-3-methylvaleric Acid Methyl Ester, with the CAS number 120219-17-2, is a chemical compound characterized by its isocyanate functional group, which is known for its reactivity, particularly in forming urethanes and other derivatives. This compound features a chiral center, indicated by the (2S,3S) configuration, which contributes to its stereochemical properties and potential biological activity. The presence of the methyl ester group suggests that it may exhibit moderate polarity, influencing its solubility in organic solvents. Isocyanates are typically used in the synthesis of various polymers and pharmaceuticals, and they can be hazardous due to their potential to cause respiratory irritation and sensitization. The compound's structure implies that it may participate in nucleophilic addition reactions, making it valuable in organic synthesis. Overall, (2S,3S)-2-Isocyanato-3-methylvaleric Acid Methyl Ester is a specialized chemical with applications in materials science and medicinal chemistry, but it requires careful handling due to its reactive nature.
Formula:C8H13NO3
InChI:InChI=1/C8H13NO3/c1-4-6(2)7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1
SMILES:CC[C@H](C)[C@@H](C(=O)OC)N=C=O
Synonyms:
  • L-isoleucine, N-carbonyl-, methyl ester
  • Methyl N-(oxomethylene)-L-isoleucinate
  • methyl N-(oxomethylidene)-L-isoleucinate
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