2-methyloctahydro-1H-isoindole | 87401-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-methyloctahydro-1H-isoindole
• 英文别名: N-Methyl-hexahydro-isoindolin；2-Methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
• CAS: 87401-39-6
• 化学式: C₉H₁₇N
• 分子量: 139.241
• InChiKey: BLDAKFGGIMMKOM-UHFFFAOYSA-N

物化性质

• 沸点：
  81-82 °C(Press: 13 Torr)
• 密度：
  0.917±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-甲基邻苯二甲酰亚胺 在 ((1,2-bis(diisopropylphosphino)ethane)NiH)2 、 氢气 作用下， 以 四氢呋喃 为溶剂， 140.0 ℃ 、6.0 MPa 条件下， 反应 72.0h， 以33%的产率得到2-methyloctahydro-1H-isoindole
  参考文献：
  名称：

  Selective C═O Reduction in Phthalimide with Nickel(0) Compounds

  摘要：

  The catalytic reduction of phthalimide was achieved using nickel catalysts. The use of catalytic amounts (20% mol) of [Ni(COD)(2)] or [(dippe)Ni(mu-H)](2) (1) allowed the monoreduction of phthalimide to yield isoindolinone and benzamide, at 140-180 degrees C and 750 psi of H-2. When the N-H moiety of phthalimide was protected with a trimethylsilyl group, both C=O groups were reduced to yield (trimethylsilyl)isoindoline. However, when a methyl moiety was used as the protecting group, the C=O groups and the aromatic ring were reduced, using rather similar reaction conditions, due to the formation of 5 angstrom (average) nickel nanoparticles.

  DOI：

  10.1021/om400164g

文献信息

• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY
  申请人：Li Hui

  公开号：US20120028923A1

  公开（公告）日：2012-02-02

  Disclosed are compounds of formula I, compositions containing them, and methods of use for the compounds and compositions in the treatment of conditions in which modulation of the JAK pathway or inhibition of JAK kinases, particularly JAK 2 and JAK3, are therapeutically useful. Also disclosed are methods of making the compounds.

  披露了公式I的化合物，含有它们的组合物，以及使用这些化合物和组合物治疗调节JAK途径或抑制JAK激酶，特别是JAK2和JAK3，具有治疗用途的条件的方法。还披露了制造这些化合物的方法。
• N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20130131132A1

  公开（公告）日：2013-05-23

  The present invention relates to N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives of the formula (I), (II), (III) or (IV) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives, and the use of such N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives for therapeutic purposes. The N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives are GlyT1 inhibitors.

  本发明涉及式(I)、(II)、(III)或(IV)所示的N-取代氨基苯并环庚烯、氨基四氢异喹啉、氨基吲哚和苯基烷基胺衍生物 或其生理耐受盐。 该发明涉及包含上述N-取代氨基苯并环庚烯、氨基四氢异喹啉、氨基吲哚和苯基烷基胺衍生物的药物组合物，以及将上述N-取代氨基苯并环庚烯、氨基四氢异喹啉、氨基吲哚和苯基烷基胺衍生物用于治疗用途。所述N-取代氨基苯并环庚烯、氨基四氢异喹啉、氨基吲哚和苯基烷基胺衍生物是甘氨酸转运体1抑制剂。
• [EN] HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DES RÉCEPTEURS D'ŒSTROGÈNES HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016189011A1

  公开（公告）日：2016-12-01

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本发明描述了作为雌激素受体调节剂的化合物。同时，还描述了包含本发明所述化合物的药物组合物和药剂，以及使用这种雌激素受体调节剂的方法，包括单独使用和与其他化合物联合使用，用于治疗由雌激素受体介导或依赖的疾病或状况。
• BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS
  申请人：GIOVANNINI Riccardo

  公开号：US20120329773A1

  公开（公告）日：2012-12-27

  This invention relates to bicyclic ring system substituted amide functionalized phenols of general formula 1, their use as inhibitors of CXCR2 activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin, or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  这项发明涉及通式1的双环环系统取代酰胺功能化酚，其用作CXCR2活性抑制剂，含有相同化合物的药物组合物，以及将其用作治疗和/或预防呼吸道或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症的药剂的方法，以及含有这些化合物的药物组合物。