4-benzyl-4-carbomethoxy-1-cyclohexaneone ethylene ketal

• 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: 4-benzyl-4-carbomethoxy-1-cyclohexaneone ethylene ketal
• 英文别名: 4-benzyl-4-carbomethoxy-1-cyclohexanone ethylene ketal；methyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
• 化学式: C₁₇H₂₂O₄
• 分子量: 290.359
• InChiKey: JWHIANUGNCSCGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-benzyl-4-carbomethoxy-1-cyclohexaneone ethylene ketal 、 氢化铝锂 以93%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：
• 作为产物：
  描述：

  1,4-二噁螺[4.5]癸烷-8-羧酸甲酯 以93%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

• 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.

  这项发明涉及新型苯并螺环衍生物，其结构式为： 其中A和B的总和至少为整数2；A选自--(CH2)n--（其中n为1至5）和--(CnH2n--2XY)--（其中X选自羟基、乙酰氧基、氨基和乙酰胺基，Y为氢，X与Y一起时选自=O和=CR3R4，其中R3和R4选自氢和1至3个碳原子的低烷基）；B为空或--(CH2)n--（其中n为1至3）；R1选自氢和1至3个碳原子的低烷基；R2选自氢、1至3个碳原子的低烷基、 其中N为2至5，Ar为苯基，其取自0至3个取代基，选自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；R1和R2与--N<一起是饱和杂环氨基基，选自未取代和取代的吡咯烷、哌咪啉和己亚甲基氨基；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。它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。将这些新化合物（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。
• 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：——
• 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：——