3‘,4’-dihydro-2’H-spiro[cyclohexane-1,1‘-naphthalen]-4-one | 56868-91-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3‘,4’-dihydro-2’H-spiro[cyclohexane-1,1‘-naphthalen]-4-one
• 英文别名: 3',4'-dihydrospiro[cyclohexane-1,1'(2'H)-naphthalen]-4-one；spiro[2,3-dihydro-1H-naphthalene-4,4'-cyclohexane]-1'-one
• CAS: 56868-91-8
• 化学式: C₁₅H₁₈O
• 分子量: 214.307
• InChiKey: XCGOPSGZOAVYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3‘,4’-dihydro-2’H-spiro[cyclohexane-1,1‘-naphthalen]-4-one 、 硼氢化钠 以 乙醇 为溶剂， 反应 8.0h， 以to produce a corresponding 3',4'-dihydrospiro[cyclohexane-1,1'(2'H)-naphthalen]-4-ol (s)的产率得到3',4'-dihydrospiro[cyclohexane-1,1'(2'H)-naphthalen]-4-ol
  参考文献：
  名称：

  Organic compounds

  摘要：

  本发明涉及由以下式子包含的新的苯并吡喃衍生物：## STR1 ## 其中A和B的和至少为整数2；A从以下组中选择：--（CH.sub.2）.sub.n，其中n为1到5，和--（CH.sub.n H.sub.2n --.sub.2 XY）--，其中X从羟基，乙酰氧基，氨基和乙酰胺基组成的群体中选择，Y是氢，当X与Y一起时，从=O和=CR.sup.3 R.sup.4组成的群体中选择，其中R.sup.3和R.sup.4从氢和1到3个碳原子的低烷基组成；B不存在或为--（CH.sub.2）.sub.n，其中n为1到3；R.sup.1从1到3个碳原子的低烷基和氢中选择；R.sup.2从1到3个碳原子的低烷基，## STR2 ## 其中N为2到5，Ar为苯，其零到三个取代基从1到3个碳原子的低烷基，1到3个碳原子的低烷氧基，溴，氯和氟中选择；R.sup.1和R.sup.2与--N <一起选择来自未取代和取代的吡咯烷基，哌嗪基和六亚甲基胺基的饱和杂环氨基基团；Z从1到3个碳原子的低烷基，1到3个碳原子的低烷氧基，硝基，1到3个碳原子的单烷基氨基，1到4个碳原子的酰胺基，溴，氯和氟中选择；以及其药理学可接受的酸盐。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方法。将新化合物（1）用于人类和动物可以抑制其中枢神经系统并降低其血压。

  公开号：

  US04010201A1
• 作为产物：
  描述：

  、 盐酸 以70%的产率得到
  参考文献：
  名称：

  LEDNICER D.; EMMERT D. E., J. ORG. CHEM. , 1975, 40, NO 26, 3844-3850

  摘要：

  DOI：

文献信息

• Catalytic Desymmetrizing Dehydrogenation of 4-Substituted Cyclohexanones through Enamine Oxidation
  作者：Lihui Zhu、Long Zhang、Sanzhong Luo

  DOI：10.1002/anie.201713327

  日期：2018.2.19

  A desymmetrizing dehydrogenation process catalyzed by a chiral primary amine is described herein. The reaction proceeds through the oxidation of a ketone enamine by IBX and enables the highly enantioselective desymmetrization of 4‐substituted cyclohexanones with the generation of chiral 4‐substituted cyclohexenones containing a remote γ‐stereocenter.

  本文描述了由手性伯胺催化的脱对称化脱氢过程。该反应通过IBX对酮烯胺的氧化而进行，并能使4-取代的环己酮高度对映选择性脱对称，并生成含有较远γ-立体中心的手性4-取代的环己酮。
• 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。
• Organic compounds
  申请人：The Upjohn Company

  公开号：US04010201A1

  公开（公告）日：1977-03-01

  This invention relates to novel benzospiran derivatives embraced by the formula ##STR1## 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 --(CH.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, ##STR2## 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.

  本发明涉及由以下式子包含的新的苯并吡喃衍生物：## STR1 ## 其中A和B的和至少为整数2；A从以下组中选择：--（CH.sub.2）.sub.n，其中n为1到5，和--（CH.sub.n H.sub.2n --.sub.2 XY）--，其中X从羟基，乙酰氧基，氨基和乙酰胺基组成的群体中选择，Y是氢，当X与Y一起时，从=O和=CR.sup.3 R.sup.4组成的群体中选择，其中R.sup.3和R.sup.4从氢和1到3个碳原子的低烷基组成；B不存在或为--（CH.sub.2）.sub.n，其中n为1到3；R.sup.1从1到3个碳原子的低烷基和氢中选择；R.sup.2从1到3个碳原子的低烷基，## STR2 ## 其中N为2到5，Ar为苯，其零到三个取代基从1到3个碳原子的低烷基，1到3个碳原子的低烷氧基，溴，氯和氟中选择；R.sup.1和R.sup.2与--N <一起选择来自未取代和取代的吡咯烷基，哌嗪基和六亚甲基胺基的饱和杂环氨基基团；Z从1到3个碳原子的低烷基，1到3个碳原子的低烷氧基，硝基，1到3个碳原子的单烷基氨基，1到4个碳原子的酰胺基，溴，氯和氟中选择；以及其药理学可接受的酸盐。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方法。将新化合物（1）用于人类和动物可以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
• US4010201A
  申请人：——

  公开号：US4010201A

  公开（公告）日：1977-03-01