(4R)-5-[(E)-6-methoxycarbonylhexylidene]-4-hydroxy-4-octyl-2-cyclopentenone | 104371-10-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (4R)-5-[(E)-6-methoxycarbonylhexylidene]-4-hydroxy-4-octyl-2-cyclopentenone
• 英文别名: (4R)-5-[(E)-6-methoxycarbonylhexylidene)-4-hydroxy-4-octyl-2-cyclopentenone；methyl (7E)-7-[(2R)-2-hydroxy-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanoate
• CAS: 104371-10-0
• 化学式: C₂₁H₃₄O₄
• 分子量: 350.499
• InChiKey: GTULLSYETKGYMX-USUABIMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4R)-5-[(E)-6-methoxycarbonylhexylidene)-4-octyl-4-trimethylsilyloxy-2-cyclopentenone 生成 (4R)-5-[(E)-6-methoxycarbonylhexylidene]-4-hydroxy-4-octyl-2-cyclopentenone
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 4-hydroxy-2-cyclopentenone, process for production thereof,
  申请人：Teijin Limited

  公开号：US04711895A1

  公开（公告）日：1987-12-08

  A 4-hydroxy-2-cyclopentenone represented by the following formula (I) ##STR1## wherein X represents a hydrogen or halogen atom, A represents a hydrogen atom and B represents a hydroxyl group, or A and B are bonded to each other to represent a bond, R.sup.1 represents a substituted or unsubstituted alkyl, alkenyl or alkynyl group having 1 to 10 carbon atoms, R.sup.2 represents a substituted or unsubstituted alkyl, alkenyl or alkynyl group having 1 to 10 carbon atoms, and R.sup.3 represents a hydrogen atom or a protective group for a hydroxyl group, provided that R.sup.2 is not a 2-octenyl, 8-acetoxy-2-octenyl or 2,5-octadienyl group. The compounds of formula (I) in which A is hydrogen and B is hydroxyl group are prepared by subjecting a 5-unsubstituted cyclopentenone and an aldehyde to aldol condensation reaction. The compounds of formula (I) in which A and B form a bond is prepared by subjecting the compounds of the formula (I) in which A is hydrogen and B is hydroxyl group to dehydration. The compounds (I) are useful for treatment of malignant tumors.

  以下是化学式（I）所代表的4-羟基-2-环戊烯酮：##STR1## 其中，X代表氢原子或卤素原子，A代表氢原子，B代表羟基，或A和B相互结合表示一种键合，R1代表取代或未取代的碳数为1至10的烷基、烯基或炔基，R2代表取代或未取代的碳数为1至10的烷基、烯基或炔基，R3代表氢原子或羟基的保护基，但R2不是2-辛烯基、8-乙酰氧基-2-辛烯基或2,5-辛二烯基。其中，A为氢原子，B为羟基的化合物是通过将5-未取代的环戊酮和醛进行醛缩反应制备的。其中，A和B形成键合的化合物是通过将A为氢原子，B为羟基的化合物进行脱水制备的。这些化合物（I）可用于治疗恶性肿瘤。
• Anti-tumor 4-Hydroxy-2-cyclopentenones
  申请人：TEIJIN LIMITED

  公开号：EP0180399A2

  公开（公告）日：1986-05-07

  57 4-Hydroxy-2-cyclopentenones represented by the formula (I) wherein X represents a hydrogen or halogen atom, A represents a hydrogen atom and B represents a hydroxyl group or A and B together represent a bond, R1 represents a substituted or unsubstituted alkyl, alkenyl or alkynyl group having up to 10 carbon atoms, R2 represents a substituted or unsubstituted alkyl, alkenyl or alkynyl group having up to 10 carbon atoms, and R3 represents a hydrogen atom or a protective group for a hydroxyl group; provided that R2 is not a 2-octenyl, 8-acetoxy-2--octenyl or 2,5-octadienyl group; are useful for the treatment of malignant tumors.

  57 式（I）代表的 4-羟基-2-环戊烯酮，其中 X 代表氢原子或卤素原子，A 代表氢原子，B 代表羟基或 A 和 B 共同代表键，R1 代表具有最多 10 个碳原子的取代或未取代的烷基、烯基或炔基，R2 代表具有最多 10 个碳原子的取代或未取代的烷基、烯基或炔基，R3 代表氢原子或羟基的保护基团；条件是 R2 不是 2-辛烯基、8-乙酰氧基-2-辛烯基或 2，5-辛二烯基；可用于治疗恶性肿瘤。
• ——
  作者：XANEHSATO ATSUO、 SUGIURA SATOSI、 KURODZUMI SEHJDZI、 NOERI REDZI

  DOI：——

  日期：——
• US4711895A
  申请人：——

  公开号：US4711895A

  公开（公告）日：1987-12-08