1-(1-methyl-butyl)-pyrrole | 60094-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(1-methyl-butyl)-pyrrole
• 英文别名: 1-(1-Methyl-butyl)-pyrrol；1-Pentan-2-ylpyrrole
• CAS: 60094-94-2
• 化学式: C₉H₁₅N
• mdl: MFCD12187103
• 分子量: 137.225
• InChiKey: AZSQHHUYFCTPIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(1-methyl-butyl)-pyrrole 、 溶剂黄146 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(pentan-2-yl)pyrrolidine
  参考文献：
  名称：

  Ochiai; Tsuda, Chemische Berichte, 1934, vol. 67, p. 1011,1013,1018

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴戊烷 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(1-methyl-butyl)-pyrrole
  参考文献：
  名称：

  Ochiai; Tsuda, Chemische Berichte, 1934, vol. 67, p. 1011,1013,1018

  摘要：

  DOI：

文献信息

• US3989713A
  申请人：——

  公开号：US3989713A

  公开（公告）日：1976-11-02
• US4085109A
  申请人：——

  公开号：US4085109A

  公开（公告）日：1978-04-18
• US4126618A
  申请人：——

  公开号：US4126618A

  公开（公告）日：1978-11-21
• US4303689A
  申请人：——

  公开号：US4303689A

  公开（公告）日：1981-12-01
• [DE] NEUE VERBINDUNGEN ZUR BEHANDLUNG VON ENTZÜNDLICHEN ERKRANKUNGEN<br/>[EN] NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES<br/>[FR] NOUVEAUX COMPOSES DESTINES AU TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2006114371A1

  公开（公告）日：2006-11-02

  [EN] Heteroaryl derivatives (1) and their racemates, enantiomers, diastereomers, acid addition salts, solvates, hydrates and deuterated forms are new. Heteroaryl derivatives of formula (1) and their racemates, enantiomers, diastereomers, acid addition salts, solvates, hydrates and deuterated forms are new. A : CO, C=NH, 1-6C alkylene or 3-8C cycloalkylene; B1>phenyl or an aromatic or non-aromatic ring optionally containing two or three heteroatoms of O, S or N and optionally substituted with OH, O-1-6C alkyl, O-1-6C-haloalkyl, halo, 1-6C alkyl or 1-6C haloalkyl; B2>phenyl or hetero aryl containing 2 or 3 heteroatoms of O, S or N; X : e.g. O or S; n : 0-3; either R1>e.g. H, 1-6C alkyl, 1-6C haloalkyl; and R2>H, 1-6C alkyl or 1-6C haloalkyl; or NR1>R2>non-aromatic heterocycle containing 2 or 3 heteroatoms of O or N; or R2>+N+A+B1>bicyclic group of formula (g); A : CO, C=NH or 1-3C alkyl; m : 1-3; B1>sulfonyl compound of formula (h); Z1>H, OH, halo, 1-6C alkyl, 1-6C alkanol, O(1-6C alkyl), 6-10C aryl, O-6-10C aryl, NH2, NH(1-6C alkyl), N(1-6C) alkyl or 3-7C cycloalkyl; and R4>e.g. 1-6C alkyl, 3-8C cycloalkyl, 1-6C haloalkyl, CN or halo. Full definitions are given in the DEFINITIONS (Full Definitions) Field. Independent claims are included for: (1) a medicament combination comprising (1) and further active substance, such as beta-mimetic, anticholinergic, corticosteroid, further phosphodiesterase-4-inhibitors, leukotriene D4 antagonists, epidermal growth factor receptor inhibitor, dopamine agonists, H1-antihistaminic, platelet-activating factor antagonist and/or phosphatidylinositol-3 kinase inhibitor; and (2) intermediate compounds of formula (i-iii) or (I-V). PG : H or a suitable protection group; and G : NO2 or NH2. [Image] [Image] [Image] [Image] [Image] - ACTIVITY : Gastrointestinal-Gen.; Antidepressant; Neuroleptic; Antimanic; Neuroprotective; Nootropic; Antiparkinsonian; Analgesic; Cerebroprotective; CNS-Gen.; Respiratory-Gen.; Antiasthmatic; Antiinflammatory; Antiulcer. - MECHANISM OF ACTION : Phosphodiesterase-4 enzyme inhibitor.
  [EN] The invention relates to novel compounds of formula (1), heteroderivatives thereof, and pharmacologically compatible salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, that are suitable for treating respiratory or gastrointestinal complaints or illnesses, inflammatory diseases of the joints, skin or eyes, diseases relating to the peripheral or central nervous system, or cancerous diseases. The invention also relates to pharmaceutical compositions containing said compounds.
  [FR] L'invention concerne de nouveaux composés représentés par la formule (1), des hétérodérivés, des sels pharmaceutiquement acceptables, des diastéréomères, des énantiomères, des racémates, des hydrates ou des solvates de des composés, servant au traitement de troubles respiratoires ou gastro-intestinaux, de maladies et maladies inflammatoires des articulations, de la peau et des yeux, de maladies du système nerveux central ou périphérique ou de maladies cancéreuses. L'invention concerne également des compositions pharmaceutiques contenant ces composés.
  [DE] Die Erfindung betrifft neue Verbindungen der Formel (1) und Heteroderivate davon, sowie pharmakologisch verträgliche Salz, Diastereomere, Enantiomere, Racemate, Hydrate oder Solvate davon, die geeignet sind zur Behandlung von Atemwegs- oder gastrointestinalen Beschwerden oder Erkrankungen, entzündlichen Erkrankungen der Gelenke, der Haut oder der Augen, Erkrankungen des periphären oder zentralen Nervensystems oder Krebserkrankungen, sowie pharmazeutische Zusammensetzungen die diese Verbindungen beinhalten.