methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;hydrochloride | 10592-03-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - Eburnan型生物碱
• 英文名称: methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;hydrochloride
• 英文别名: hydron;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;chloride
• CAS: 10592-03-7
• 化学式: C₂₁H₂₇ClN₂O₃
• 分子量: 390.9
• InChiKey: YGKAKNJJNTVSKB-YAFGAGFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;hydrochloride 在 thallium(III) trifluoroacetate 作用下， 以 various solvent(s) 为溶剂， 生成 2,4,6,8-Tetramethyl-dibenzothiophene
  参考文献：
  名称：

  Redox and EPR Spectral Behaviour of Radical Cations of Dibenzothiophene and Some of its Derivatives.

  摘要：

  The radical cations of dibenzothiophene 1 and its 2,8-[H-2(2)]-isotopomer (2), a series of methylated dibenzothiophenes, viz. 2,8- (3), 3,7- (4) and 4,6-dimethyldibenzothiophene (5), and 2,4,6,8-tetramethyldibenzothiophene (6), as well as 2,2'-(7) and 4,4'-bidibenzothiophene (8) have been generated in 1,1,1,3,3,3-hexafluoropropan-2-ol, mostly by Tl-III trifluoroacetate or 4-tolyl-Tl-III trifluoroacetate oxidation. From the hyperfine coupling constants obtained, it is concluded that the 2- and 4-positions of 1(.+) are the carbon atoms possessing the highest spin density. This assignment agrees with results of high-level quantum-chemical calculations, placing the B-2(1) state as the lowest energy level of 1(.+).

  DOI：

  10.3891/acta.chem.scand.51-0492
• 作为产物：
  描述：

  2,4-二甲基苯硫酚 在 盐酸 、 sodium hydroxide 、 乙醇 、 tin(ll) chloride 作用下， 生成 methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;hydrochloride
  参考文献：
  名称：

  565.高沸点石油馏分的成分。第五部分：科威特石油中的某些缩合噻吩衍生物

  摘要：

  DOI：

  10.1039/jr9590002813

文献信息

• Rhodium-Catalyzed Sequential Dehydrogenation/Deoxygenation in One-Pot: Efficient Synthesis of Dibenzothiophene Derivatives from Diaryl Sulfoxides
  作者：Qiufeng Huang、Shurong Fu、Shaojia Ke、Hanbing Xiao、Xiaofeng Zhang、Shen Lin

  DOI：10.1002/ejoc.201501075

  日期：2015.10

  A novel strategy for the synthesis of dibenzothiophene derivatives is established through a one-pot intramolecular cross-dehydrogenative-coupling reaction of diaryl sulfoxides followed by deoxygenation with a Rh/Ag catalytic system. The yields obtained were good to excellent (up to 96 %), therefore making the described protocol an attractive option for building dibenzothiophene compounds.

  通过二芳基亚砜的一锅式分子内交叉脱氢偶联反应，然后用 Rh/Ag 催化体系脱氧，建立了一种合成二苯并噻吩衍生物的新策略。获得的产率从好到极好（高达 96%），因此使所描述的协议成为构建二苯并噻吩化合物的有吸引力的选择。
• Vincamine 2-ketoglutarate and compositions containing vincamine
  申请人：Especialidades Latinas Medicamentos Universales S.A.

  公开号：US03982002A1

  公开（公告）日：1976-09-21

  The new compound vincamine 2-ketoglutarate of the formula: ##SPC1## Is disclosed and is prepared by mixing 2-ketoglutaric acid and vincamine or a salt thereof in a solvent and recovering the resulting vincamine 2-ketoglutarate which has interesting properties as a vasodilator and brain oxygenator. The vincamine may be prepared by allowing a mixture of a solution of 16-epivincamine and a quaternary ammonium hydroxide to stand whereafter the vincamine is recovered.

  新的化合物vincamine 2-ketoglutarate的化学式为：##SPC1##已被披露，并且是通过在溶剂中混合2-酮戊二酸和vincamine或其盐，并回收所得的vincamine 2-ketoglutarate来制备的。该化合物具有作为血管扩张剂和脑氧合剂的有趣特性。可以通过将16-epivincamine的溶液和季铵盐水溶液混合后静置，然后回收vincamine来制备vincamine。
• KHANNA, SATISH, C.
  作者：KHANNA, SATISH, C.

  DOI：——

  日期：——
• New alkaloid derivatives, their use and pharmaceutical formulations containing them
  申请人：INDENA S.p.A.

  公开号：EP0573260B1

  公开（公告）日：2000-05-10
• US3982002A
  申请人：——

  公开号：US3982002A

  公开（公告）日：1976-09-21