4-benzyl-4-hydroxymethylcyclohexan-1-one ethylene ketal | 56868-62-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzyl-4-hydroxymethylcyclohexan-1-one ethylene ketal
• 英文别名: (8-benzyl-1,4-dioxa-spiro[4,5]dec-8-yl)-methanol；(8-benzyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
• CAS: 56868-62-3
• 化学式: C₁₆H₂₂O₃
• 分子量: 262.349
• InChiKey: JXJMCVNTUVDYHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzyl-4-hydroxymethylcyclohexan-1-one ethylene ketal 在 吡啶 、 chromium (VI) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 以61%的产率得到8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carbaldehyde
  参考文献：
  名称：

  [EN] MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  [FR] CYANOÉNONES MONOCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。

  公开号：

  WO2010011782A1
• 作为产物：
  描述：

  ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以91%的产率得到4-benzyl-4-hydroxymethylcyclohexan-1-one ethylene ketal
  参考文献：
  名称：

  [EN] MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  [FR] CYANOÉNONES MONOCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。

  公开号：

  WO2010011782A1

文献信息

• 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。
• MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF
  申请人：Honda Tadashi

  公开号：US20110196007A1

  公开（公告）日：2011-08-11

  The present invention features monocyclic cyanoenone compositions and methods for using the same in the treatment of diseases such as cancer, inflammatory diseases and neurodegenerative diseases.

  本发明涉及单环氰基烯酮组合物及其在治疗癌症、炎症性疾病和神经退行性疾病等疾病中的应用方法。
• LEDNICER D.; EMMERT D. E., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 26, 3844-3850
  作者：LEDNICER D.、 EMMERT D. E.

  DOI：——

  日期：——
• US8314137B2
  申请人：——

  公开号：US8314137B2

  公开（公告）日：2012-11-20