ethyl 4-(benzylamino)-2-hydroxybicyclo[2.2.2]octane-1-carboxylate | 1207166-77-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 4-(benzylamino)-2-hydroxybicyclo[2.2.2]octane-1-carboxylate
• 英文别名: 4-(benzylamino)-2-hydroxybicyclo[2.2.2]octane-1-carboxylic acid ethyl ester
• CAS: 1207166-77-5
• 化学式: C₁₈H₂₅NO₃
• 分子量: 303.401
• InChiKey: PJTZPQSXLJJWMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-(benzylamino)-2-hydroxybicyclo[2.2.2]octane-1-carboxylate 在 palladium 10% on activated carbon 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 120.0 ℃ 、101.33 kPa 条件下， 反应 49.0h， 生成 ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
  参考文献：
  名称：

  [EN] PYRAZOLE AMIDE DERIVATIVE
  [FR] DÉRIVÉ DE PYRAZOLE AMIDE

  摘要：

  本发明涉及一种新型化合物，具有抑制RORγ活性的功能。本发明还涉及包括该化合物的药物组合物，以及在治疗或预防自身免疫疾病、炎症性疾病、代谢性疾病或癌症疾病中使用该化合物的用途。

  公开号：

  WO2015129926A1
• 作为产物：
  描述：

  1-乙酰基-4-氧代环己烷甲酸乙酯 在 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 8.5h， 生成 ethyl 4-(benzylamino)-2-hydroxybicyclo[2.2.2]octane-1-carboxylate
  参考文献：
  名称：

  [EN] PYRAZOLE AMIDE DERIVATIVE
  [FR] DÉRIVÉ DE PYRAZOLE AMIDE

  摘要：

  本发明涉及一种新型化合物，具有抑制RORγ活性的功能。本发明还涉及包括该化合物的药物组合物，以及在治疗或预防自身免疫疾病、炎症性疾病、代谢性疾病或癌症疾病中使用该化合物的用途。

  公开号：

  WO2015129926A1

文献信息

• PROCESS FOR PRODUCTION OF BICYCLO[2.2.2]OCTYLAMINE DERIVATIVE
  申请人：Akeboshi Tomohiro

  公开号：US20110137070A1

  公开（公告）日：2011-06-09

  The present invention herein provides a process for production of a bicyclo[2.2.2]octylamine derivative which may be used as an intermediate for preparation of medical and pharmaceutical products. The process is quite efficient and can produce the derivative in a large-scale while using mild reaction conditions. The process for producing a bicyclo[2.2.2]octylamine derivative comprises the steps of subjecting, to ring-formation, a compound represented by the following general formula (1): [wherein R 1 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an arylmethyl group which may have a substituent; or an arylethyl group which may have a substituent], and a compound represented by the following general formula (2): R 2 —NH 2 (2) [wherein R 2 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an aralkyl group which may have a substituent; a hydroxyl group; an alkyloxy group having 1 to 6 carbon atoms, which may have a substituent; or an aralkyloxy group which may have a substituent], and then reducing the resulting product.

  本发明提供了一种制备双环[2.2.2]辛基胺衍生物的方法，该方法可用作制备医药产品的中间体。该方法效率高，能够在温和的反应条件下大规模生产衍生物。制备双环[2.2.2]辛基胺衍生物的方法包括以下步骤：将下式（1）所表示的化合物[其中R1表示具有1至6个碳原子的烷基基团，可以具有取代基；苯基甲基基团，可以具有取代基；或苯乙基基团，可以具有取代基]与下式（2）所表示的化合物反应，形成环，并还原所得产物。其中，下式（2）中R2表示具有1至6个碳原子的烷基基团，可以具有取代基；苯基烷基基团，可以具有取代基；羟基；具有1至6个碳原子的烷氧基，可以具有取代基；或苯基烷氧基，可以具有取代基。
• Process for production of bicyclo[2.2.2]octylamine derivative
  申请人：Akeboshi Tomohiro

  公开号：US08476470B2

  公开（公告）日：2013-07-02

  The present invention herein provides a process for production of a bicyclo[2.2.2]octylamine derivative which may be used as an intermediate for preparation of medical and pharmaceutical products. The process is quite efficient and can produce the derivative in a large-scale while using mild reaction conditions. The process for producing a bicyclo[2.2.2]octylamine derivative comprises the steps of subjecting, to ring-formation, a compound represented by the following general formula (1): [wherein R1 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an arylmethyl group which may have a substituent; or an arylethyl group which may have a substituent], and a compound represented by the following general formula (2): R2—NH2  (2) [wherein R2 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an aralkyl group which may have a substituent; a hydroxyl group; an alkyloxy group having 1 to 6 carbon atoms, which may have a substituent; or an aralkyloxy group which may have a substituent], and then reducing the resulting product.

  本发明提供了一种制备双环[2.2.2]辛基胺衍生物的方法，该衍生物可用作制备医药产品和制药中间体。该方法效率高，可以在温和的反应条件下大规模生产衍生物。制备双环[2.2.2]辛基胺衍生物的方法包括以下步骤：将以下通式（1）表示的化合物[其中R1表示具有1至6个碳原子的烷基基团，可以有取代基；具有取代基的芳基甲基基团；或具有取代基的芳基乙基基团]与以下通式（2）表示的化合物R2—NH2（2）[其中R2表示具有1至6个碳原子的烷基基团，可以有取代基；具有取代基的芳基烷基基团；羟基；具有1至6个碳原子的烷氧基，可以有取代基；或具有取代基的芳基烷氧基]进行环形成，然后还原所得产物。
• Pyrazole Amide Derivative
  申请人：AMGEN INC.

  公开号：US20150266824A1

  公开（公告）日：2015-09-24

  The present invention relates to a novel compound having a function of inhibiting RORγ activity. The present invention also relates to pharmaceutical composition comprising the compound, a use of the compound in treating or preventing autoimmune diseases, inflammatory diseases, metabolic diseases, or cancer diseases.

  本发明涉及一种新型化合物，具有抑制RORγ活性的功能。本发明还涉及包含该化合物的药物组合物，以及使用该化合物治疗或预防自身免疫性疾病、炎症性疾病、代谢性疾病或癌症疾病的用途。
• PROCESS FOR PRODUCTION OF BICYCLOÝ2.2.2¨OCTYLAMINE DERIVATIVE
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP2322499A1

  公开（公告）日：2011-05-18

  The present invention herein provides a process for production or a bicyclo[2.2.2]octylamine derivative which may be used as an intermediate for preparation of medical and pharmaceutical products. The process is quite efficient and can produce the derivative in a large-scale while using mild reaction conditions. The process for producing a bicyclo[2.2.2]octylamine derivative comprises the steps of subjecting, to ring-formation, a compound represented by the following general formula (1): [wherein R1 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an arylmethyl group which may have a substituent; or an arylethyl group which may have a substituent], and a compound represented by the following general formula (2):         R2-NH2     (2) [wherein R2 represents an alkyl group having 1 to 6 carbon atoms, which may have a substituent; an aralkyl group which may have a substituent; a hydroxyl group; an alkyloxy group having 1 to 6 carbon atoms, which may have a substituent; or an aralkyloxy group which may have a substituent], and then reducing the resulting product.

  本发明提供了一种双环[2.2.2]辛胺衍生物的生产工艺，该衍生物可用作制备医疗和制药产品的中间体。该工艺相当高效，可在温和的反应条件下大规模生产该衍生物。 生产双环[2.2.2]辛胺衍生物的工艺包括以下步骤：将通式（1）所代表的化合物进行环化反应： [其中 R1 代表具有 1 至 6 个碳原子的烷基，该烷基可以具有一个取代基；芳甲基，该 芳甲基可以具有一个取代基；或芳乙基，该芳乙基可以具有一个取代基]，以及下 列通式(2)所代表的化合物： R2-NH2 (2) [其中 R2 代表一个具有 1 至 6 个碳原子的烷基，该烷基可能具有一个取代基；一个芳烷基，该芳基可能具有一个取代基；一个羟基；一个具有 1 至 6 个碳原子的烷氧基，该烷氧基可能具有一个取代基；或一个芳烷氧基，该芳基可能具有一个取代基]，然后还原所得产物。
• EP2322499
  申请人：——

  公开号：——

  公开（公告）日：——