8-(4-methoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile | 5263-42-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 8-(4-methoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile
• 英文别名: 8-(4-methoxyphenyl)-1,4-dioxaspiro[4,5]decane-8-carbonitrile；8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile；4-cyano-4-(4-methoxyphenyl)cyclohexanone, ethylene ketal；4-cyano-4-(p-anisyl)cyclohexanone, ethylene ketal
• CAS: 5263-42-3
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.332
• InChiKey: CKCLQQWZUYNFPM-UHFFFAOYSA-N

物化性质

• 熔点：
  101-103.5 °C(Solv: dichloromethane (75-09-2))
• 沸点：
  443.8±45.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  8-(4-methoxy-phenyl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrile 在 盐酸 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 、 甲苯 为溶剂， 反应 21.0h， 生成 {1-[1-(4-methoxy-phenyl)-4-oxo-cyclohexyl]-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  [EN] SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS
  [FR] ISOQUINOLINES ET ISOQUINOLINONES SUBSTITUÉES UTILISÉES COMME INHIBITEURS DE RHO-KINASE

  摘要：

  该发明涉及用于治疗和/或预防与Rho激酶和/或Rho激酶介导的肌球蛋白轻链磷酸酶磷酸化相关疾病的配方(I)的取代异喹啉和异喹啉酮，以及含有这种化合物的组合物。

  公开号：

  WO2009156100A1
• 作为产物：
  描述：

  1-(4-甲氧苯基)-4-氧代环己甲腈 以92%的产率得到
  参考文献：
  名称：

  LEDNICER D.; EMMERT D. E.; RUDZIK A. D.; GRAHAM B. E., J. MED. CHEM. , 1975, 18, NO 6, 593-599

  摘要：

  DOI：

文献信息

• 1-(4-Aryl-cyclohexyl)piperidine derivatives, method of use thereof and
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US04329353A1

  公开（公告）日：1982-05-11

  Novel 1-[1-(4-aryl-cyclohexyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-ones and 1-aryl-8-(4-aryl-cyclohexyl)-1,3,8-triazaspiro[4,5]decan-4-ones which are useful as antiemetic-and neuroleptic agents.

  新颖的化合物1-[1-(4-芳基-环己基)-4-哌啶基]-1,3-二氢-2H-苯并咪唑-2-酮和1-芳基-8-(4-芳基-环己基)-1,3,8-三氮杂螺[4,5]癸烷-4-酮，可用作抗恶心和抗精神病药物。
• 4-Arylcyclohexylamines
  申请人：The Upjohn Company

  公开号：US03979444A1

  公开（公告）日：1976-09-07

  The invention relates to novel 4-hydroxymethyl(acyloxymethyl and methyl)-4-arylcyclohexylamines embraced by the formula ##SPC1## Wherein Ar is an aromatic ring selected from the group consisting of phenyl and naphthyl, each of which has from zero through three substituents independently selected from the group consisting of fluorine, chlorine, bromine, lower alkyl of one through three carbon atoms, lower alkoxy of one through three carbon atoms, and lower alkylthio of one through three carbon atoms; Z is selected from the group consisting of hydrogen, hydroxy and lower acyloxy of one through four carbon atoms; .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof, with the proviso that when the stereoconfiguration of the linkage connecting the cyclohexane ring and CH.sub.2 Z is cis to the amino group, the linkage connecting the cyclohexane and Ar rings is trans, and vice versa; R.sup.1 is selected from the group consisting of hydrogen and lower alkyl of one through three carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, lower alkyl of one through three carbon atoms, ##EQU1## WHEREIN N IS 2 THROUGH 5 AND Ar has the same meaning as above; 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, hexamethylenimino, morpholino and piperazino; and pharmacologically acceptable acid addition salts thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (I) and novel derivatives thereof. The administration to humans and animals of the novel compounds (I) depresses their central nervous systems and lowers their blood pressures.

  本发明涉及一种新型的4-羟甲基（酰氧甲基和甲基）-4-芳基环己胺，其公式为##SPC1##其中Ar是从苯基和萘基选择的芳香环，每个环都有从0到3个取自氟、氯、溴、1至3个碳原子的低级烷基、1至3个碳原子的低级烷氧基和1至3个碳原子的低级烷基硫基的官能团自由置换；Z选择自氢、羟基和1至4个碳原子的低级酰氧基的官能团自由置换；∼是表示顺式和反式立体构型及其混合物的通用表达式，但当连接环己烷环和CH.sub.2 Z的立体构型为顺式时，连接环己烷环和Ar环的立体构型为反式，反之亦然；R.sup.1选择自氢和1至3个碳原子的低级烷基的官能团自由置换；R.sup.2选择自氢、1至3个碳原子的低级烷基、## EQU1##其中N为2至5，Ar具有与上述相同的含义；R.sup.1和R.sup.2与--N <一起取代为选自未取代和取代的吡咯烷基、哌啶烷基、六亚甲基亚胺基、吗啉基和哌嗪基的饱和杂环氨基基团；以及其药学上可接受的酸加盐。本发明还涉及上述新型化合物（I）及其新型衍生物的中间体和制备方法。将新型化合物（I）用于人类和动物可以抑制其中枢神经系统并降低其血压。
• SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS
  申请人：Plettenburg Oliver

  公开号：US20110190341A1

  公开（公告）日：2011-08-04

  The invention relates to substituted isoquinoline and isoquinolinones of the formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及公式（I）的取代异喹啉和异喹啉酮，用于治疗和/或预防与Rho激酶和/或Rho激酶介导的肌球蛋白轻链磷酸酶的磷酸化相关的疾病，以及含有这些化合物的组合物。
• 1-(4-Aryl-cyclohexyl)piperidine derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0035902A1

  公开（公告）日：1981-09-16

  Novel 1-[1-(4-aryl-cyclohexyl)-4-piperidinyl]- 1,3-dihydro-2H-benzimidazol-2-ones and 1-aryl-8-(4-aryl- cyclohexyl)-1,3,8-triazaspiro[4,5]decan-4-ones which are useful as antiemetic-and neuroleptic agents.

  新型 1-[1-(4-芳基-环己基)-4-哌啶基]-1,3-二氢-2H-苯并咪唑-2-酮和 1-芳基-8-(4-芳基-环己基)-1,3,8-三氮杂螺[4,5]癸烷-4-酮，可用作止吐药和神经抑制剂。
• US4329353A
  申请人：——

  公开号：US4329353A

  公开（公告）日：1982-05-11