bis(η5-methylcyclopentadienyl)titanium(II) | 84601-69-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: bis(η5-methylcyclopentadienyl)titanium(II)
• 英文别名: Dimethyl titanocene；1-methylcyclopenta-1,3-diene;titanium(2+)
• CAS: 84601-69-4
• 化学式: C₁₂H₁₄Ti
• 分子量: 206.123
• InChiKey: WZISNHZSJXVDOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(η5-methylcyclopentadienyl)titanium(II) 在 碘 作用下， 以 四氢呋喃 为溶剂， 生成 bis(η-methylcyclopentadienyl)diiodotitanium(IV)
  参考文献：
  名称：

  Singh, J. J.; Singh, Gurmukh; Kumar, N., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical

  摘要：

  DOI：
• 作为产物：
  描述：

  二(甲基环戊二烯基)二氯化钛 在 萘 、 氢化钾 作用下， 以 四氢呋喃 为溶剂， 生成 bis(η5-methylcyclopentadienyl)titanium(II)
  参考文献：
  名称：

  Singh, J. J.; Singh, Gurmukh; Kumar, N., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-(R)-(3,5-bis(tri-fluoro-methyl)benzoyloxy)-3-(S)-phenyl-4-benzyl morpholine 、 Tetrahydrofuran toluene 在 bis(η5-methylcyclopentadienyl)titanium(II) silica gel 作用下， 反应 16.0h， 以Flash chromatography on 150 g of silica gel using 3:1 v/v hexanes/methylene chloride as the eluant afforded 1.71 g (69%) of the title compound as a solid的产率得到
  参考文献：
  名称：

  Morpholine compounds are prodrugs useful as tachykinin receptor

  摘要：

  通用结构式为##STR1##的替代杂环化合物是缓激肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐。

  公开号：

  US05780467A1

文献信息

• N-oxides of morpholine derivatives and their use as therapeutic agents
  申请人：Merck Sharp & Dohme Limited

  公开号：US05610159A1

  公开（公告）日：1997-03-11

  ##STR1## The present invention relates to morpholine derivatives of the formula (I) and pharmaceutically acceptable salts thereof wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, R.sup.7, R.sup.9a, R.sup.9b, X, Y, Z and Het are as defined in the specification; m is 0 or 1; and n is 0 or 1, where the sum total of n+m is 1 or 2. The compounds are of particular use in the treatment of pain, inflammation, migraine, emesis and postherpetic neuralgia.

  本发明涉及公式(I)的吗啡啶衍生物及其药学上可接受的盐，其中R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5，R.sup.6，R.sup.7，R.sup.9a，R.sup.9b，X，Y，Z和Het如规范中所定义；m为0或1；n为0或1，其中n+m的总和为1或2。这些化合物特别适用于治疗疼痛、炎症、偏头痛、恶心和带状疱疹后神经痛。
• Polymorphic form of a tachykinin receptor antagonist
  申请人：Merck & Co., Inc.

  公开号：US20010041702A1

  公开（公告）日：2001-11-15

  This invention is concerned with a novel polymorphic form of the compound 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)-phenyl)-ethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-(5-oxo-1H,4H-1,2,4-triazolo)methylmorpholine which is a tachykinin receptor antagonist useful in the treatment or prevention of disorders of the central nervous system, inflammatory diseases, pain or migraine, asthma, and emesis. The instant polymorphic form has advantages over the other known forms of 2-(R)-(1-(R)-(3,1-bis(trifluoro-methyl)-phenyl)ethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-(5-oxo-1H,4H-1,2,4-triazolo)methylmorpholine in terms of thermodynamic stability and suitability for inclusion in pharmaceutical formulations.

  这项发明涉及一种新的多晶型化合物2-(R)-(1-(R)-(3,5-双三氟甲基苯基)-乙氧基)-3-(S)-(4-氟苯基)-4-(3-(5-氧代-1H,4H-1,2,4-三唑基)甲基吗啡啶，它是一种缓激肽受体拮抗剂，可用于治疗或预防中枢神经系统疾病、炎症性疾病、疼痛或偏头痛、哮喘和呕吐等疾病。这种多晶型具有比已知的其他形式的2-(R)-(1-(R)-(3,1-双三氟甲基苯基)乙氧基)-3-(S)-(4-氟苯基)-4-(3-(5-氧代-1H,4H-1,2,4-三唑基)甲基吗啡啶更好的热力学稳定性和适合用于制药配方的优点。
• Substituted morpholine derivatives and their use as therapeutic agents
  申请人：Merck Sharp & Dohme Limited

  公开号：US05612337A1

  公开（公告）日：1997-03-18

  The present invention relates to compounds of formula (I), wherein R.sup.1 is hydrogen, halogen, C.sub.1-6 C alkyl, C.sub.1-6 alkoxy, CF.sub.3, NO.sub.2, CN, SR.sup.a, SOR.sup.a, SO.sub.2 R.sup.a, CO.sub.2 R.sup.a, CONR.sup.a R.sup.b, C.sub.2-6 alkenyl, C.sub.2-6 alkynyl or C.sub.1-4 alkyl substituted by C.sub.1-4 alkoxy, where R.sup.a and R.sup.b are hydrogen or C.sub.1-4 alkyl; R.sup.2 is hydrogen, halogen, C .sub.1-6 alkyl, C.sub.1-6 alkoxy substituted by C.sub.1-4 alkoxy or CF.sub.3 ; R.sup.3 is hydrogen, halogen or CF.sub.3 ; R.sup.4 is selected from the definitions of R.sup.1 ; R.sup.5 is selected from the definitions of R.sup.2 ; R.sup.6 is a 5-membered or 6-membered heterocyclic ring containing 2 or 3 nitrogen atoms optionally substituted by .dbd.O, .dbd.S or a C.sub.1-4 alkyl group, and optionally substituted by an aminoalkyl group; R.sup.9a and R.sup.9b are hydrogen or C.sub.1-4 alkyl, or R.sup.9a and R.sup.9b are joined to form a C.sub.5-7 ring; X is C.sub.1-4 alkylene optionally substituted by oxo; and Y is a C.sub.1-4 alkyl group optionally substituted by hydroxyl; with the proviso that if Y is C.sub.1-4 alkyl, R.sup.6 is substituted at least by an aminoalkyl group; and pharmaceutically acceptable salts and prodrugs thereof. The compounds are of particular use in the treatment of pain, inflammation, migraine and emesis.

  本发明涉及式(I)的化合物，其中R.sup.1是氢、卤素、C.sub.1-6烷基、C.sub.1-6烷氧基、CF.sub.3、NO.sub.2、CN、SR.sup.a、SOR.sup.a、SO.sub.2R.sup.a、CO.sub.2R.sup.a、CONR.sup.aR.sup.b、C.sub.2-6烯基、C.sub.2-6炔基或C.sub.1-4烷基，其被C.sub.1-4烷氧基取代，其中R.sup.a和R.sup.b是氢或C.sub.1-4烷基；R.sup.2是氢、卤素、C.sub.1-6烷基、被C.sub.1-4烷氧基取代的C.sub.1-6烷氧基或CF.sub.3；R.sup.3是氢、卤素或CF.sub.3；R.sup.4是从R.sup.1的定义中选择的；R.sup.5是从R.sup.2的定义中选择的；R.sup.6是一个含有2或3个氮原子的5元或6元杂环，可以选择地被.dbd.O、.dbd.S或C.sub.1-4烷基取代，并可以选择地被氨基烷基取代；R.sup.9a和R.sup.9b是氢或C.sub.1-4烷基，或者R.sup.9a和R.sup.9b结合形成一个C.sub.5-7环；X是可选择地被氧代取代的C.sub.1-4烷基；而Y是可选择地被羟基取代的C.sub.1-4烷基，但前提是如果Y是C.sub.1-4烷基，则R.sup.6至少被一个氨基烷基取代；以及其药学上可接受的盐和前药。这些化合物在治疗疼痛、炎症、偏头痛和恶心方面特别有用。
• Morpholine and thiomorpholine tachykinin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US20020002164A1

  公开（公告）日：2002-01-03

  Substituted heterocycles of the general structural formula: 1 are tachykinin receptor antagonists useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis, and calcium channel blockers useful in the treatment of cardiovascular conditions such as angina, hypertension or ischemia.

  通用结构式1的替代杂环可作为缓激肽受体拮抗剂，用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐，以及钙通道阻滞剂，用于治疗心血管疾病，如心绞痛、高血压或缺血。
• Process for preparing morpholine tachykinin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US05637699A1

  公开（公告）日：1997-06-10

  Substituted heterocycles of the general structural formula: ##STR1## are tachykinin receptor antagonists useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis, and calcium channel blockers useful in the treatment of cardiovascular conditions such as angina, hypertension or ischemia.

  通式为##STR1##的取代杂环类化合物是缓激肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐，以及钙通道阻滞剂，可用于治疗心血管疾病，如心绞痛、高血压或缺血。