(1S,3R,8R)-9-(1-ethylidenamine)-2,2-dichloro-3,7,7-trimethyltricyclo[6,3,0,0^1,3]undec-10-one | 443679-07-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: (1S,3R,8R)-9-(1-ethylidenamine)-2,2-dichloro-3,7,7-trimethyltricyclo[6,3,0,0^1,3]undec-10-one
• 英文别名: (1S,3R,8R)-9-(1-Aminoethylidene)-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]undecan-10-one；(1S,3R,8S,9Z)-9-(1-aminoethylidene)-2,2-dichloro-3,7,7-trimethyltricyclo[6.3.0.01,3]undecan-10-one
• CAS: 443679-07-0
• 化学式: C₁₆H₂₃Cl₂NO
• 分子量: 316.271
• InChiKey: XVUFCKPGUJZZRR-IIQKDADSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-肼吡啶 、 (1S,3R,8R)-9-(1-ethylidenamine)-2,2-dichloro-3,7,7-trimethyltricyclo[6,3,0,0^1,3]undec-10-one 以 溶剂黄146 为溶剂， 反应 4.0h， 以45%的产率得到(1S,8S,13R)-14,14-dichloro-6,9,9,13-tetramethyl-4-pyridin-2-yl-4,5-diazatetracyclo[6.6.0.01,13.03,7]tetradeca-3(7),5-diene
  参考文献：
  名称：

  REGIOSPECIFIC SYNTHESIS OF A NEW CHIRAL N-SUBSTITUTED PYRAZOLE USING A SESQUITERPENE HYDROCARBON

  摘要：

  Treatment of beta-enaminone 4 with 2-hydrazinopyridine gives a regiospecific formation N-substituted pyrazole 6. Enaminone 4 was prepared for the first time by reacting enone 3 with sodium azide in acidic medium. The structural assignment of 2. 3, 4 5 and 6 is based upon H-1, (CNMR)-C-13 spectroscopy, mass spectrometry and X-ray structural analyses.

  DOI：

  10.1081/scc-120002507
• 作为产物：
  描述：

  (1S,3R,8R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3]dodec-9-ene 在 N-溴代丁二酰亚胺(NBS) 、 sodium azide 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 25.0h， 生成 (1S,3R,8R)-9-(1-ethylidenamine)-2,2-dichloro-3,7,7-trimethyltricyclo[6,3,0,0^1,3]undec-10-one
  参考文献：
  名称：

  REGIOSPECIFIC SYNTHESIS OF A NEW CHIRAL N-SUBSTITUTED PYRAZOLE USING A SESQUITERPENE HYDROCARBON

  摘要：

  Treatment of beta-enaminone 4 with 2-hydrazinopyridine gives a regiospecific formation N-substituted pyrazole 6. Enaminone 4 was prepared for the first time by reacting enone 3 with sodium azide in acidic medium. The structural assignment of 2. 3, 4 5 and 6 is based upon H-1, (CNMR)-C-13 spectroscopy, mass spectrometry and X-ray structural analyses.

  DOI：

  10.1081/scc-120002507

文献信息

• REGIOSPECIFIC SYNTHESIS OF A NEW CHIRAL <i>N</i>-SUBSTITUTED PYRAZOLE USING A SESQUITERPENE HYDROCARBON
  作者：A. Auhmani、E. Kossareva、H. Eljamili、M. Reglier、M. Pierrot、A. Benharref

  DOI：10.1081/scc-120002507

  日期：2002.1.1

  Treatment of beta-enaminone 4 with 2-hydrazinopyridine gives a regiospecific formation N-substituted pyrazole 6. Enaminone 4 was prepared for the first time by reacting enone 3 with sodium azide in acidic medium. The structural assignment of 2. 3, 4 5 and 6 is based upon H-1, (CNMR)-C-13 spectroscopy, mass spectrometry and X-ray structural analyses.