8-(diethoxycarbonyl)methyl-cis-bicyclo-[4,3,0]nona-3-ene | 60844-25-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 8-(diethoxycarbonyl)methyl-cis-bicyclo-[4,3,0]nona-3-ene
• 英文别名: diethyl 2-[(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-inden-2-yl]propanedioate
• CAS: 60844-25-9
• 化学式: C₁₆H₂₄O₄
• 分子量: 280.364
• InChiKey: FTPKXQXJELHGFT-FUNVUKJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(diethoxycarbonyl)methyl-cis-bicyclo-[4,3,0]nona-3-ene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (3aS,7aR)-2-(2,3,3a,4,7,7a-Hexahydro-1H-inden-2-yl)-propane-1,3-diol
  参考文献：
  名称：

  Turecek,F.; Vystrcil,A., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 1571 - 1580

  摘要：

  DOI：
• 作为产物：
  描述：

  cis-2,2'-(cyclohex-4-ene-1,2-diyl)diacetic acid 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 水 、 二甲基亚砜 、 正戊烷 为溶剂， 生成 8-(diethoxycarbonyl)methyl-cis-bicyclo-[4,3,0]nona-3-ene
  参考文献：
  名称：

  Turecek,F.; Vystrcil,A., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 1571 - 1580

  摘要：

  DOI：

文献信息

• Carbacyclin analogs
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04680307A1

  公开（公告）日：1987-07-14

  A compound of the formula: ##STR1## wherein X.sup.1 is a free or an esterified carboxyl group, or a group of the formula: ##STR2## (R.sup.a and R.sup.b are each independently a hydrogen atom, a C.sub.1 -C.sub.4 alkyl group, a C.sub.3 -C.sub.7 cycloalkyl group, a benzyl group, a phenyl group, a phenyl group substituted with a halogen atom or a C.sub.1 -C.sub.4 alkyl group, or, when taken together with the adjacent nitrogen atom to which they are attached, they represent a 5 to 7 membered saturated heterocyclic group, Y.sup.1 is a group of the formula: ##STR3## (R.sup.6 is a hydrogen atom or C.sub.1 -C.sub.4 alkyl group), ##STR4## (R.sup.6 is as defined above), ##STR5## R.sup.1 is a hydrogen atom, a hydroxyl group or a protected hydroxyl group, R.sup.2 is a hydrogen atom or R.sup.1 and R.sup.2, when taken together, mean a shingle linkage to from a double bond between the carbon atoms which they are linked, R.sup.3 is a hydroxyl group or a protected hydroxyl group, R.sup.4 is a hydrogen atom or a C.sub.1 -C.sub.4 alkyl group, R.sup.5 is a hydrogen atom, a C.sub.1 -C.sub.12 alkyl group, a C.sub.2 -C.sub.12 alkenyl group, a C.sub.2 -C.sub.12 alkynyl group, a C.sub.3 -C.sub.10 cycloalkyl group, a C.sub.4 -C.sub.10 cycloalkenyl group, a hydroxy C.sub.1 -C.sub.12 alkyl group, a C.sub.3 -C.sub.10 heterocyclic group, a phenyl group optionally substituted with a halogen atom; a hydroxyl group, a C.sub.1 -C.sub.4 alkyl group, a trifluoromethyl group, or a C.sub.1 -C.sub.4 alkyl group or a formula: A-B (A is a C.sub.1 -C.sub.7 alkylene chain and B is a C.sub.3 -C.sub.10 cycloalkyl group, a C.sub.4 -C.sub.10 cycloalkenyl group, a C.sub.1 -C.sub.12 alkoxy group, a C.sub.3 -C.sub.10 cycloalkoxy group, a C.sub.4 -C.sub.10 cycloalkenyloxy group, a C.sub.3 -C.sub.10 heterocyclic group, or a phenyl or phenoxy group optionally substituted with a halogen atom, a hydroxy group, a C.sub.1 -C.sub.4 alkyl group, a trifluoromethyl group or a C.sub.1 -C.sub.4 alkoxy group); or a non-toxic pharmaceutically acceptable salt thereof. Said compound have strong anti-ulcerous action or antithrombotic action, and are useful in treatment of ulcer or thrombosis.

  一种化合物的公式：##STR1## 其中X.sup.1是自由的或酯化的羧基，或者是公式：##STR2## (R.sup.a和R.sup.b各自独立地是氢原子，C.sub.1-C.sub.4烷基，C.sub.3-C.sub.7环烷基，苄基，苯基，取代有卤素原子或C.sub.1-C.sub.4烷基的苯基，或者与它们相邻的氮原子一起取代一个5至7个成员的饱和杂环基团，Y.sup.1是公式：##STR3## (R.sup.6是氢原子或C.sub.1-C.sub.4烷基)，##STR4## (R.sup.6如上所定义)，##STR5## R.sup.1是氢原子，羟基或保护羟基，R.sup.2是氢原子或R.sup.1和R.sup.2当一起取代时，它们意味着在它们连接的碳原子之间形成一个双键，R.sup.3是羟基或保护羟基，R.sup.4是氢原子或C.sub.1-C.sub.4烷基，R.sup.5是氢原子，C.sub.1-C.sub.12烷基，C.sub.2-C.sub.12烯基，C.sub.2-C.sub.12炔基，C.sub.3-C.sub.10环烷基，C.sub.4-C.sub.10环烯基，羟基C.sub.1-C.sub.12烷基，C.sub.3-C.sub.10杂环基，苯基，可选地取代有卤素原子的苯基，羟基，C.sub.1-C.sub.4烷基，三氟甲基基团，或者是公式：A-B（A是C.sub.1-C.sub.7烷基链，B是C.sub.3-C.sub.10环烷基，C.sub.4-C.sub.10环烯基，C.sub.1-C.sub.12烷氧基，C.sub.3-C.sub.10环烷氧基，C.sub.4-C.sub.10环烯氧基，C.sub.3-C.sub.10杂环基，或者是可选地取代有卤素原子，羟基，C.sub.1-C.sub.4烷基，三氟甲基基团或C.sub.1-C.sub.4烷氧基的苯基或苯氧基）；或其无毒药物可接受的盐。该化合物具有强大的抗溃疡作用或抗血栓作用，并且在溃疡或血栓的治疗中有用。
• Novel bicyclooctane compounds and production thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0139515A2

  公开（公告）日：1985-05-02

  A compound which has strong anti-ulcer activity and is useful in the treatment of ulcers has the formula: wherein X1 is a free or esterified carboxyl group, or a group of the formula: (Ra and Rb are each independently a hydrogen atom, a C1-C4 alkyl group, a C3-C7 cycloalkyl group, a benzyl group, a phenyl group, a phenyl group substituted with a halogen atom or a C1-C4 alkyl group, or, when taken together with the adjacent nitrogen atom to which they are attached, they represent a 5 to 7 membered saturated heterocyclic group), Y' is a group of the formula: (R6 is a hydrogen atom or C1-C4 alkyl group), or R6 is as defined above), R1 is a hydrogen atom, a hydroxyl group or a protected hydroxyl group, R2 is a hydrogen atom or R1 and R2, when taken together, mean a single linkage to form a double bond between the carbon atoms to which they are linked, R3 is a hydroxyl group or a protected hydroxyl group, R4 is-a a hydrogen atom or a C1-C4 alkyl group, R5 is a hydrogen atom, a C1-C12 alkyl group, a C2-C12 alkenyl group, a C2-C12 alkynyl group, a C3-C10 cycloalkyl group, a C4-C10 cycloalkenyl group, a hydroxy C1-C12 alkyl group, a C3-C10 heterocyclic group, a phenyl group optionally Substituted with a halogen atom a hydroxy group a C. C4 alkyl group a trifluoromethyl group. or a C1-C4 alkyl group or a group of the formula. A-B (A is a C1-C7 alkylene chain and B is a C3-C10 cycloalkyl group, a C4-C10 cycloalkenyl group, a C1-C12 alkoxy group, a C3-C10 cycloalkoxy group, a C4-C10 cycloalkenyloxy group, a C3-C10 heterocyclic group, or a phenyl or phenoxy group optionally substituted with a halogen atom. a hydroxy group, a C1-C4 alkyl group. a trifluoromethyl group or a C1-C4 alkoxy group) m is 0, 1 or 2; or a non-toxic pharmaceutically acceptable salt thereof.

  一种化合物具有很强的抗溃疡活性，可用于治疗溃疡，其式如下 其中 X1 是游离的或酯化的羧基，或者是式中的基团： (Ra和Rb各自独立地为氢原子、C1-C4烷基、C3-C7环烷基、苄基、苯基、被卤素原子或C1-C4烷基取代的苯基，或者，当它们与所连接的相邻氮原子结合在一起时，它们代表5至7个成员的饱和杂环基团），Y'是式中的一个基团： (R6 是氢原子或 C1-C4 烷基），或 R6 如上定义）、 R1 是氢原子、羟基或受保护的羟基，R2 是氢原子，或 R1 和 R2 结合在一起时，表示在它们所连接的碳原子之间形成双键的单链，R3 是羟基或受保护的羟基，R4 是氢原子或 C1-C4 烷基、R5 是氢原子、C1-C12 烷基、C2-C12 烯基、C2-C12 炔基、C3-C10 环烷基、C4-C10 环烯基、羟基 C1-C12 烷基、C3-C10 杂环基、任选被卤素原子取代的苯基、羟基、C.或 C1-C4 烷基或式中的基团。A-B（A 是 C1-C7 亚烷基链，B 是 C3-C10 环烷基、C4-C10 环烯基、C1-C12 烷氧基、C3-C10 环烷氧基、C4-C10 环烯氧基、C3-C10 杂环基、或任选被卤素原子取代的苯基或苯氧基。m 为 0、1 或 2；或其无毒性的药学上可接受的盐。
• Bicyclooctane derivatives and their production and use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0115954B1

  公开（公告）日：1987-08-19
• US4680307A
  申请人：——

  公开号：US4680307A

  公开（公告）日：1987-07-14
• Turecek,F.; Vystrcil,A., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 1571 - 1580
  作者：Turecek,F.、Vystrcil,A.

  DOI：——

  日期：——