5'-methoxyspiroindene>-1'(3'H),4-dione | 56868-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5'-methoxyspiroindene>-1'(3'H),4-dione
• 英文别名: 5'-Methoxyspiro(cyclohexane-1,2'-indan)-1',4-dione；5'-Methoxyspiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione；5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
• CAS: 56868-15-6
• 化学式: C₁₅H₁₆O₃
• 分子量: 244.29
• InChiKey: ZFSUWFPOEAUCHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5'-methoxyspiroindene>-1'(3'H),4-dione 以73%的产率得到
  参考文献：
  名称：

  LEDNICER D.; EMMERT D. E., J. ORG. CHEM. , 1975, 40, NO 26, 3839-3844

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-Methoxy-benzyl)-4-oxo-cyclohexanecarboxylic acid 以81%的产率得到
  参考文献：
  名称：

  LEDNICER D.; EMMERT D. E., J. ORG. CHEM. , 1975, 40, NO 26, 3839-3844

  摘要：

  DOI：

文献信息

• Synthesis of Spiro[cyclohexane-1,2?-[2H]indene] derivatives as inhibitors of steroid 5?-reductase
  作者：Shu-Kun Lin、Vittorio Rasetti

  DOI：10.1002/hlca.19950780407

  日期：1995.6.28

  The spiro[cyclohexane-1,2′-[2H]indene] derivatives 15a,b with molecular dimensions and nucleophilic functional groups similar to known steroid 5α-reductase inhibitors (e.g.2) were synthesized. The spiro[cyclohexane-1,2′-[2H]indene]-1′(3′H),4-dione (5) was synthesized from 5-methoxyindan-l-one ( = 2,3-dihydro-5-methoxy-1H-inden-1-one). A Grignard reaction and a dehydration step led to the cyclohexene

  合成了具有类似于已知的类固醇5α-还原酶抑制剂（例如2）的分子尺寸和亲核官能团的螺[环己烷-1,2'-[2 H ]茚]衍生物15a，b。螺[环己烷-1,2' - [2 ħ ]茚] -1'（3' ħ），4-二酮（5），从5-甲氧基茚满-1-酮（= 2,3-二氢- 5合成-甲氧基-1 H-茚基-1-一）。甲格利雅反应，并导致环己烯（±）一脱水步骤- 7，其在由催化的立体选择性氢化的阮内温和的条件下-Ni，送给图8a作为纯差向异构体。在室温下，在Pd / C上进一步8a的氢化和氢解反应还原了酮基，得到纯的9a。最后，通过脱保护和Heck型反应生成5'-取代的衍生物12a，14a和15a。
• Benzospiran derivatives
  申请人：The Upjohn Company

  公开号：US03932425A1

  公开（公告）日：1976-01-13

  This invention relates to novel benzospiran derivatives embraced by the formula ##SPC1## Wherein the sum of A and B is at least the integer 2; A is selected from the group consisting of --(CH.sub.2).sub.n -- wherein n is 1 through 5 and --(C.sub.n H.sub.2n --.sub.2 XY)-- wherein X is selected from the group consisting of hydroxy, acetoxy, amino and acetamido and Y is hydrogen, and X when taken together with Y is selected from the group consisting of =O and =CR.sup.3 R.sup.4 wherein R.sup.3 and R.sup.4 are selected from the group consisting of hydrogen and lower alkyl of 1 through 3 carbon atoms; B is absent or --(CH.sub.2).sub.n -- wherein n is 1 through 3; R.sup.1 is selected from the group consisting of hydrogen and lower alkyl of 1 through 3 carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, lower alkyl of 1 through 3 carbon atoms, ##EQU1## WHEREIN N IS 2 THROUGH 5 AND Ar is phenyl having zero through three substituents selected from the group consisting of lower alkyl of 1 through 3 carbon atoms, lower alkoxy of 1 through 3 carbon atoms, bromine, chlorine and fluorine; R.sup.1 and R.sup.2 taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and substituted pyrrolidino, piperidino, and hexamethylenimino; Z is selected from the group consisting of hydrogen, lower alkyl of 1 through 3 carbon atoms, lower alkoxy of 1 through 3 carbon atoms, nitro, amino, monoalkylamino of 1 through 3 carbon atoms, acylamido of 1 through 4 carbon atoms, bromine, chlorine and fluorine; and a pharmacologically acceptable acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The administration to humans and animals of the novel compounds (1) depresses their central nervous systems and lowers their blood pressures.

  本发明涉及一种由以下公式所包含的新的苯并螺吡喃衍生物：##SPC1## 其中A和B的总和至少为整数2；A选自由--(CH.sub.2).sub.n--（其中n为1至5）和--(C.sub.n H.sub.2n --.sub.2 XY)--（其中X选自羟基，乙酰氧基，氨基和乙酰胺基，Y为氢，当X与Y一起时，选自=O和=CR.sup.3 R.sup.4，其中R.sup.3和R.sup.4选自氢和1至3个碳原子的低烷基）的组成，B为不存在或为--(CH.sub.2).sub.n--（其中n为1至3）；R.sup.1选自氢和1至3个碳原子的低烷基；R.sup.2选自氢，1至3个碳原子的低烷基，##EQU1## 其中N为2至5，Ar是苯基，其有0至3个从1至3个碳原子的低烷基，1至3个碳原子的低烷氧基，溴，氯和氟的取代基；R.sup.1和R.sup.2与--N<一起选自未取代和取代的吡咯烷基，哌啶基和六亚甲基胺基的饱和杂环氨基基团；Z选自氢，1至3个碳原子的低烷基，1至3个碳原子的低烷氧基，硝基，1至3个碳原子的单烷基氨基，1至4个碳原子的酰胺基，溴，氯和氟；以及其药理学上可接受的酸盐。本发明还涉及上述新化合物（1）及其新衍生物的中间体和制备过程。将该新化合物（1）用于人类和动物可抑制其中枢神经系统并降低其血压。
• US3932425A
  申请人：——

  公开号：US3932425A

  公开（公告）日：1976-01-13
• LEDNICER D.; EMMERT D. E., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 26, 3839-3844
  作者：LEDNICER D.、 EMMERT D. E.

  DOI：——

  日期：——