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1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)-

化学構造式
2411540-29-7
CAS番号.
2411540-29-7
化学名:
别名:
英語名:
1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)-
英語别名:
Upadacitinib Impurity 71;Upadacitinib Impurity 93;(3R,4S)-benzyl 3-acetyl-4-ethylpyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)-
CBNumber:
CB58358528
化学式:
C16H21NO3
分子量:
275.34
MOL File:
2411540-29-7.mol

1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)- 物理性質

沸点 :
401.7±45.0 °C(Predicted)
比重(密度) :
1.115±0.06 g/cm3(Predicted)
酸解離定数(Pka):
-2.58±0.60(Predicted)
InChI:
InChI=1S/C16H21NO3/c1-3-14-9-17(10-15(14)12(2)18)16(19)20-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15-/m1/s1
InChIKey:
IDAIPNZJYAVREK-HUUCEWRRSA-N
SMILES:
N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(C)=O)C1

安全性情報

1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)- 価格

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  • 2411540-29-7
  • 1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)-
  • (3R,4S)-benzyl 3-acetyl-4-ethylpyrrolidine-1-carboxylate
  • Upadacitinib Impurity 93
  • Upadacitinib Impurity 71
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