3-甲基-3-氮杂双环[3.3.1]壬烷-9-酮 | 4146-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-甲基-3-氮杂双环[3.3.1]壬烷-9-酮
• 中文别名: 3-甲基-3-氮杂-双环[3.3.1]壬烷-9-酮
• 英文名称: 3-methyl-3-azabicyclo[3.3.1]-nonan-9-one
• 英文别名: 3-methyl-3-azabicyclo[3.3.1]nonan-9-one；3-methyl-3-aza-bicyclo[3.3.1]nonan-9-one；3-Methyl-9-oxo-3-aza-bicyclo<3.3.1>nonan, Isopseudopelletierin；N-Methyl-bicyclo-<3.3.1>-3-aza-nonan-9-on；3-Methyl-3-aza-bicyclo<3.3.1>nonanon-(9)；N-Methyl-bicyclo<3.3.1>-3-aza-nonan-9-on
• CAS: 4146-35-4
• 化学式: C₉H₁₅NO
• mdl: MFCD03177179
• 分子量: 153.224
• InChiKey: PTVMGIXBAOSAGF-UHFFFAOYSA-N

物化性质

• 熔点：
  27-28 °C
• 沸点：
  95-97 °C(Press: 11 Torr)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-甲基-3-氮杂双环[3.3.1]壬烷-9-酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 34.0h， 以30%的产率得到3-methyl-3-azabicyclo[3.3.1]nonan-9-one oxime
  参考文献：
  名称：

  3-methyl-3-azabicyclo[3.2.1]octan-8-one和3-methyl-3-azabicyclo[3.3.1]nonan-9-one肟的合成、结构和构象研究

  摘要：

  摘要 合成并研究了由3-甲基-3-氮杂双环[3.2.1]辛烷-8-酮(I)和3-甲基-3-氮杂双环[3.3.1]壬烷-9-酮(II)衍生的两种肟。通过 IR、 1 H 和 13 C NMR 光谱。化合物I在CDCl 3 中采用椅子-包络构象，N-CH 3 基团位于赤道位置。化合物II在赤道配置中采用带有N-CH 3 取代基的扁平椅椅构象。

  DOI：

  10.1016/s0022-2860(02)00684-1

文献信息

• Benzopiperidine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US06518423B1

  公开（公告）日：2003-02-11

  Benzopiperidine derivatives represented by formula (I), salts thereof or hydrates thereof, processes for producing the same and drugs comprising the same: wherein the variables are as described in the specification. These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and rejection reaction accompanying organ transplantation.

  本茨哌啶衍生物，由公式(I)表示，其盐或水合物，其制备方法以及包含其的药物: 其中变量如说明书中所述。这些化合物作为药物有效，用于预防和治疗这些各种炎症性疾病和免疫性疾病，如类风湿性关节炎、特应性皮炎、银屑病、哮喘和伴随器官移植的排斥反应。
• Amides and esters containing bridged piperidines and use as serotonin M
  申请人：Sandoz Ltd.

  公开号：US04797406A1

  公开（公告）日：1989-01-10

  The dicarboxylic, heterocyclic and substituted benzoic acid alkylene bridged piperidyl amides and esters are serotonin M antagonists.

  二羧基，杂环和取代苯甲酸乙烯桥联哌啶酰胺和酯是血清素M受体拮抗剂。
• Phthalazine compounds and therapeutic agents for erectile dysfunction
  申请人：Eisai Co., Ltd.

  公开号：US20030105074A1

  公开（公告）日：2003-06-05

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: 1 wherein R 1 and R 2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8-membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; l is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R 1 is a chlorine atom, R 2 is a methoxy group and Y is a 5- or 6-memberred amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种治疗勃起功能障碍的邻苯二氮杂环化合物，其化学式如下，其药理学上可接受的盐或水合物：1其中，R1和R2相同或不同，表示卤素原子、可能被卤素原子取代的C1到C4烷基、可能被卤素原子取代的C1到C4烷氧基或氰基；X表示氰基、硝基、卤素原子、可能被取代的羟肟基或可能被取代的杂环基；Y表示杂环基、可能被取代的芳基、可能被取代的炔基、烯基、烷基、可选取代的饱和或不饱和4-至8环胺环，所述的环胺化合物是单环化合物、双环化合物或螺环化合物；l是1到3的整数；但当l为1或2时，X为氰基、硝基或氯原子，R1为氯原子，R2为甲氧基，Y为取代有羟基的5-或6环胺环时，不在此范围内。
• BENZOPIPERIDINE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP0934941A1

  公开（公告）日：1999-08-11

  This invention provides a benzopiperidine derivative represented by the following general formula (I), its salt or hydrates thereof:    wherein R1 to R3 may be the same or different and each represents hydrogen, optionally substituted lower alkyl, optionally substituted lower cycloalkyl or the like, provided that the case where R1 to R3 each represents methyl in the case of lower alkyl is excluded; R represents hydrogen, lower alkyl or the like; E represents N, C or the like; Z represents O, S, SO, SO2 or the like; and the ring G represents an optionally substituted heteroaryl ring having one or more nitrogen atoms. Those are effectively used for a drug for preventing or remedying inflammatory immunologic diseases and autoimmune diseases, or a drug for preventing or remedying rheumatism, collagen disease, asthma, nephritis, ischemic reflow disorders, psoriasis, atopic dermatitis or rejection reaction accompanying organ transplantation.

  本发明提供了由以下通式(I)代表的苯并哌啶衍生物、其盐或水合物： 其中 R1 至 R3 可以相同或不同，各自代表氢、任选取代的低级烷基、任选取代的低级环烷基或类似物，但不包括 R1 至 R3 在低级烷基中各自代表甲基的情况；R 代表氢、低级烷基或类似物；E 代表 N、C 或类似物；Z 代表 O、S、SO、SO2 或类似物；环 G 代表具有一个或多个氮原子的任选取代的杂芳基环。这些药物可有效用于预防或治疗炎症性免疫疾病和自身免疫疾病，或用于预防或治疗风湿病、胶原病、哮喘、肾炎、缺血性回流障碍、牛皮癣、特应性皮炎或器官移植时的排斥反应。
• PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION
  申请人：Eisai Co., Ltd.

  公开号：EP1057819A1

  公开（公告）日：2000-12-06

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: wherein R1 and R2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8- membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; 1 is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R1 is a chlorine atom, R2 is a methoxy group and Y is a 5- or 6-memberred amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种作为勃起功能障碍治疗剂的酞嗪化合物，由下式、其药理学上可接受的盐或其水合物代表： 其中R1和R2彼此相同或不同，代表卤素原子、可被卤素原子取代的C1至C4烷基、可被卤素原子取代的C1至C4烷氧基或氰基；X代表氰基、硝基、卤素原子、可被取代的羟基亚氨基或可被取代的杂芳基；Y 代表杂芳基、可被取代的芳基、可被取代的炔基、烯基、烷基、任选取代的饱和或不饱和 4 至 8 位氨基环，环胺化合物是单环化合物、双环化合物或螺环化合物；1 是 1 至 3 的整数；但不包括以下情况：l 是 1 或 2，X 是氰基、硝基或氯原子，R1 是氯原子，R2 是甲氧基，Y 是被羟基取代的 5 或 6 位胺环。