1,3-dihydro-1'-methylspiro[isobenzofuran-1,4'-piperidine]-3-one | 54595-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1,3-dihydro-1'-methylspiro[isobenzofuran-1,4'-piperidine]-3-one
• 英文别名: 1'-Methyl-spiro[isobenzofuran-1(3H),4'-piperidine]-3-one；1'-methyl-spiro[isobenzofuran-1,4'-piperidin]-3-one；1'-Methylspiro[2-benzofuran-3,4'-piperidine]-1-one
• CAS: 54595-70-9
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: AJECYOIWECOTAK-UHFFFAOYSA-N

物化性质

• 熔点：
  147-148 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  385.9±42.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dihydro-1'-methylspiro[isobenzofuran-1,4'-piperidine]-3-one 在 diborane(6) 作用下， 以 四氢呋喃 为溶剂， 生成 1'-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]
  参考文献：
  名称：

  Spiro piperidines. I. Synthesis of spiro[isobenzofuran-1(3H), 4'-piperidines] and spiro[isobenzofuran-1(3H), 3'-piperidines]

  摘要：

  DOI：

  10.1021/jo00898a010
• 作为产物：
  描述：

  4-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-1-methyl-piperidin-4-ol 在 盐酸 作用下， 生成 1,3-dihydro-1'-methylspiro[isobenzofuran-1,4'-piperidine]-3-one
  参考文献：
  名称：

  1,3-Dihydrospiro[isobenzofuran]s and derivatives thereof

  摘要：

  描述了一种替代1,3-二氢螺[异苯并呋喃]的新型化合物和制备方法。这些化合物可用作镇静剂、止痛剂和它们的中间体。

  公开号：

  US03962259A1

文献信息

• 1,3-Dihydrospiro[isobenzofuran]s and derivatives thereof
  申请人：American Hoechst Corporation

  公开号：US03962259A1

  公开（公告）日：1976-06-08

  Novel substituted 1,3-dihydrospiro[isobenzofuran]s and methods of preparing the same are described. These compounds are useful as tranquilizers, analgetic agents and intermediates therefor.

  描述了一种替代1,3-二氢螺[异苯并呋喃]的新型化合物和制备方法。这些化合物可用作镇静剂、止痛剂和它们的中间体。
• OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF
  申请人：BARTH Francis

  公开号：US20070043060A1

  公开（公告）日：2007-02-22

  This invention relates to compounds of formula (I): Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as described herein. The invention further relates to a method for prevention and therapeutic use thereof.

  本发明涉及式(I)化合物：其中R1、R2、R3、R4、R5、R6、R7和R8如本文所述。本发明还涉及其预防和治疗用途的方法。
• Carbamoyl-Substituted Spiro Derivative
  申请人：Jitsuoka Makoto

  公开号：US20080171753A1

  公开（公告）日：2008-07-17

  A compound represented by, e.g. the formula (I): [wherein X, Y, Z, and W each independently represent optionally substituted methine; A, B, and D each independently represent —C(O)—, etc.; Q represents a methine or a nitrogen; and R represents the formula (II-1), optionally substituted with lower alkyl, etc.; (wherein R 6 represents a lower alkyl, etc; and R 7 and R 8 each independently represents a lower alkyl, etc.)] or a pharmaceutically acceptable salt of the compound. The compounds and salt have antagonistic activity against a histamine H3 receptor or inverse agonistic activity against a histamine H3 receptor. They are useful in the prevention or treatment of metabolic diseases, circulatory diseases, or neurotic diseases.

  化合物的化学式为(I):[其中X、Y、Z和W各自独立地表示可选择性取代的甲烷基；A、B和D各自独立地表示—C(O)—等；Q表示甲烷基或氮；R表示化学式(II-1)，可选择性地取代较低的烷基等；(其中R6表示较低的烷基等；R7和R8各自独立地表示较低的烷基等)]或其药学上可接受的盐。这些化合物和盐对组胺H3受体具有拮抗活性或反向激动活性。它们可用于预防或治疗代谢性疾病、循环系统疾病或神经疾病。
• 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS
  申请人：Cid-Nunez Jose Maria

  公开号：US20120184525A1

  公开（公告）日：2012-07-19

  The present invention relates to novel triazolo[4,3- a ]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及一种新型的三唑并[4,3-a]吡啶衍生物，其化学式为（I），其中所有基团均如权利要求中所定义。本发明中的化合物是代谢型谷氨酸受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及代谢型受体的mGluR2亚型的疾病。本发明还涉及包含这些化合物的制药组合物，制备这些化合物和组合物的过程，以及使用这些化合物预防或治疗涉及mGluR2的神经和精神障碍和疾病的方法。
• AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES
  申请人：Yamamoto Keisuke

  公开号：US20100256134A1

  公开（公告）日：2010-10-07

  Provided is an agent for the prevention and/or treatment of a skin disease containing, as an active ingredient, a pyrazolopyrimidine derivative represented by the formula (I) (wherein each symbol is as defined in the specification), or a pharmacologically acceptable salt thereof, and the like.

  提供了一种用于预防和/或治疗皮肤疾病的药剂，其中包含一种以式(I)表示的吡唑并嘧啶衍生物作为活性成分，其中每个符号如规范中所定义，或其药理学上可接受的盐等。