3-cyclopropyl-6,6-dimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one | 1100802-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-cyclopropyl-6,6-dimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one
• 英文别名: 3-cyclopropyl-6,6-dimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one；3-Cyclopropyl-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
• CAS: 1100802-24-1
• 化学式: C₁₈H₂₀N₂O
• 分子量: 280.37
• InChiKey: RRPRJIGZVAYIEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-cyclopropyl-6,6-dimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one 在 吡啶 、 盐酸羟胺 作用下， 反应 3.0h， 以86%的产率得到(E)-3-cyclopropyl-6,6-dimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one oxime
  参考文献：
  名称：

  Synthesis of novel lupane triterpenoid-indazolone hybrids with oxime ester linkage

  摘要：

  An efficient protocol for the synthesis of novel lupane triterpenoid-indazolone hybrids with oxime ester linkage has been developed from naturally accessible precursor betulin. For the first time a series of betulonic acid-indazolone hybrids have been synthesized via an acylation of corresponding 6,7-dihydro-1H-indazol-4(5H)-one oximes with betulonic acid chloride. Diastereoselective reduction of the obtained betulonic acid conjugates with NaBH4 resulted in a formation of betulinic acid-indazolone hybrids in excellent yields. The configuration of the key compounds has been fully established by X-ray and 2D NMR analysis. (C) 2016 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2016.08.002

文献信息

• 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS
  申请人：PHARMACIA & UPJOHN S.p.A.

  公开号：EP1177185A1

  公开（公告）日：2002-02-06
• US6716856B1
  申请人：——

  公开号：US6716856B1

  公开（公告）日：2004-04-06
• [EN] 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS<br/>[FR] DERIVES DE 4,5,6,7-TETRAHYDROINDAZOLE UTILES COMME AGENTS ANTITUMORAUX
  申请人：PHARMACIA & UPJOHN SPA

  公开号：WO2000069846A1

  公开（公告）日：2000-11-23

  Compounds which are 4,5,6,7-tetrahydroindazole derivative formula (I), wherein the dotted line (x) represents a single or double bond; n is 0 or 1; R1, R2 and R3 have the meanings reported in the description; Ra, R'a, Rb, R'b, Rc, R'c have the meanings reported in the description, also comprising that Ra and Rb together and/or Ra and Rc together form a N-alkyl-piperydinyl ring with 1 to 6 carbon atoms in the alkyl chain or a phenyl ring; or pharmaceutically acceptable salts thereof, are useful for treating cell proliferative disorders and Alzheimer's disease.