1,1-dimethyl-2,3-dihydro-1H-inden-5-ol | 77366-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1,1-dimethyl-2,3-dihydro-1H-inden-5-ol
• 英文别名: 1,1-dimethyl-indan-5-ol；1,1-Dimethylindan-5-ol；1,1-dimethyl-2,3-dihydroinden-5-ol
• CAS: 77366-77-9
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: REJUADUBWMTPSU-UHFFFAOYSA-N

物化性质

• 沸点：
  260.7±29.0 °C(Predicted)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-2,3-dihydro-1H-inden-5-ol 在 乙醇 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 116.0h， 生成 (S)-2-(1,1-dimethyl-indan-5-yloxymethyl)-6-ethyl-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
  参考文献：
  名称：

  [EN] SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF
  [FR] DIHYDRO-BENZOCYCLOALKYL-OXYMÉTHYL-OXAZOLOPYRIMIDINONES SUBSTITUÉES, LEUR PRÉPARATION ET LEUR UTILISATION

  摘要：

  本发明涉及一系列取代二氢苯并环烷氧甲基噁唑嘧啶酮化合物，其化学式为（I），如本文所定义。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物可作为药物剂，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面有用，包括但不限于急性和慢性神经退行性疾病、精神病、认知缺陷疾病、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。

  公开号：

  WO2011034830A1
• 作为产物：
  描述：

  5-methoxy-1,1-dimethyl-2,3-dihydro-1H-indene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以487 mg的产率得到1,1-dimethyl-2,3-dihydro-1H-inden-5-ol
  参考文献：
  名称：

  NOVEL PHENOL COMPOUND OR SALT THEREOF

  摘要：

  本发明提供了以下式（I）所表示的酚化合物或其盐： 其中，R1、R2、R5、L1、L2、L3、A、X和m如说明书所述。

  公开号：

  EP4067343A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS GAMMA-T DU RÉCEPTEUR ORPHELIN APPARENTÉ AUX RÉCEPTEURS DES RÉTINOÏDES (ROR) )
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2016002968A1

  公开（公告）日：2016-01-07

  Provided are heterocyclic compounds having a RORγt inhibitory action represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  提供的是具有RORγt抑制作用的杂环化合物，其由公式(I)表示：其中每个符号如说明书中定义，或其盐。
• Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists
  申请人：Inoue Tadashi

  公开号：US20060100460A1

  公开（公告）日：2006-05-11

  This invention provides a compound of the formula (I): wherein R 1 represents a (C 1 -C 6 )alkyl group; R 2 represents a hydrogen atom, a halogen atom, a hydroxy group, a (C 1 -C 6 ) alkyl group or a (C 1 -C 6 ) alkoxy group; R 3 , R 4 , R 5 and R 6 each independently represents a hydrogen atom, a (C 1 -C 6 ) alkyl, or a halogen atom; R 7 represents a hydrogen atom, a halogen atom, a hydroxy group, a (C 1 -C 6 ) alkyl group optionally substituted with a piperidino group, a (C- 1 -C 6 )alkoxy group optionally substituted with a 3-7 membered cycloalkyl ring, a hydroxy(C 1 -C 6 )alkoxy group, a (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy group, a halo (C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkylthio group, a (C 1 -C 6 )alkylsulfinyl group or a (C 1 -C 6 )alkylsulfonyl group; R 5 represents a (C 1 -C 6 )alkyl group, a halo(C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkoxy group, a hydroxy(C 1 -C 6 )alkoxy group, a (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl group or a (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy group; or R 7 and R 8 , when adjacent to each other, taken together with the carbon atoms to which they are attached form a 5-8 membered carbocyclic or heterocyclic ring, wherein the carbocyclic ring or the heterocyclic ring is unsubstituted or substituted with one or more substituents selected from the group consisting of a hydroxy group, a (C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkoxy group and a hydroxy(C 1 -C 6 )alkyl group; and R 9 represents a hydrogen atom or a halogen atom; or a pharmaceutically acceptable salt or solvate thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of VR1 receptor, such as pain or the like in mammalian. The present invention also provides a pharmaceutical composition comprising the compound of formula (I).

  这项发明提供了一种化合物，其化学式为（I）：其中R1代表（C1-C6）烷基基团；R2代表氢原子、卤原子、羟基、（C1-C6）烷基基团或（C1-C6）氧烷基基团；R3、R4、R5和R6分别独立地代表氢原子、（C1-C6）烷基或卤原子；R7代表氢原子、卤原子、羟基、（C1-C6）烷基基团，可选地取代有哌啶基团的（C1-C6）烷基基团，可选地取代有3-7个成员的环烷基环的（C-1-C6）氧烷基基团，羟基（C1-C6）氧烷基基团，（C1-C6）氧烷基（C1-C6）烷基基团，（C1-C6）氧烷基（C1-C6）氧烷基基团，卤代（C1-C6）烷基基团，（C1-C6）烷基硫基基团，（C1-C6）烷基亚硫基基团或（C1-C6）烷基砜基基团；R8代表（C1-C6）烷基基团，卤代（C1-C6）烷基基团，（C1-C6）氧烷基基团，羟基（C1-C6）氧烷基基团，（C1-C6）氧烷基（C1-C6）烷基基团或（C1-C6）氧烷基（C1-C6）氧烷基基团；或者R7和R8，当相邻时，与它们连接的碳原子一起形成一个5-8成员的脂环或杂环环，其中脂环或杂环环未取代或取代有一个或多个选自羟基、（C1-C6）烷基、（C1-C6）氧烷基和羟基（C1-C6）烷基的取代基；R9代表氢原子或卤原子；或其药学上可接受的盐或溶剂。这些化合物可用于治疗由VR1受体过度激活引起的疾病症状，如哺乳动物中的疼痛等。本发明还提供了一种包含化合物（I）的药物组成物。
• 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20050037925A1

  公开（公告）日：2005-02-17

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen, atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substituteable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物由以下式子表示：[其中R1代表氢原子，卤素原子，烷基团等，R2代表氢原子，卤素原子，烷基团等，R3，R4，R5，R6和R7各自独立地代表氢原子，卤素原子，可替换的烷基团，可替换的烯基团，炔基团，可替换的环烷基团等，或R3，R4，R5，R6和R7可以形成一个环，该环可以被取代，该环由相邻的两个碳原子形成，这些碳原子与相应的取代基团相连，m和n各自独立地代表0或1。]其盐，酯衍生物及含有该化合物为有效成分的农药，以及含有该化合物和第二种草甘膦活性化合物为有效成分的除草剂组合物。
• 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20100041555A1

  公开（公告）日：2010-02-18

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substitutable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物，其化学式为：[其中R1代表氢原子、卤素原子、烷基等，R2代表氢原子、卤素原子、烷基等，R3、R4、R5、R6和R7各自独立地代表氢原子、卤素原子、可替换的烷基、可替换的烯基、炔基、可替换的环烷基等，或R3、R4、R5、R6和R7可形成一个环，该环可以被取代，由它们中的相邻两个碳原子形成，各自带有相应的取代基，m和n各自独立地代表0或1。]其盐、酯衍生物和含有该化合物作为有效成分的农药，以及含有该化合物和第二种除草活性化合物作为有效成分的除草剂组合物。
• SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF
  申请人：SHER Rosy

  公开号：US20120184566A1

  公开（公告）日：2012-07-19

  The present invention relates to a series of substituted dihydro benzocycloalkyl-oxymethyl oxazolopyrimidinones of formula (I): Wherein n, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, cognition deficit disorders, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列取代二氢苯并环烷氧甲基噁唑嘧啶酮化合物，其化学式为(I)：其中n，R1，R2，R3，R4，R5和R6如本文所定义。本发明还涉及制备这些化合物的方法，包括新型中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在制药领域中有用，特别是在治疗和/或预防各种中枢神经系统疾病（CNS），包括但不限于急性和慢性神经退行性病变，精神病，认知缺陷障碍，惊厥，焦虑，抑郁，偏头痛，疼痛，睡眠障碍和呕吐等方面。