2-benzyloxy-5-(trifluoromethoxy)iodobenzene | 200956-93-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-benzyloxy-5-(trifluoromethoxy)iodobenzene
• 英文别名: 1-(benzyloxy)-2-iodo-4-(trifluoromethoxy)benzene；2-Benzyloxy-5-trifluoromethoxyiodobenzene；2-iodo-1-phenylmethoxy-4-(trifluoromethoxy)benzene
• CAS: 200956-93-0
• 化学式: C₁₄H₁₀F₃IO₂
• 分子量: 394.132
• InChiKey: IADHRFAXAKFKJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzyloxy-5-(trifluoromethoxy)iodobenzene 在 palladium dihydroxide 、 三乙胺 、 lithium chloride palladium diacetate 、 四丁基氯化铵 、 氢气 、 potassium formate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 138.0h， 生成 2-[(3R,5R,6S)-6-Phenyl-7-(toluene-4-sulfonyl)-1-oxa-7-aza-spiro[4.5]dec-3-yl]-4-trifluoromethoxy-phenol
  参考文献：
  名称：

  A Double Ring Closing Metathesis Reaction in the Rapid, Enantioselective Synthesis of NK-1 Receptor Antagonists

  摘要：

  [GRAPHICS]The NK-1 receptor antagonist 1 has been prepared in seven steps from phenylglycine methyl ester. The key steps are a double ring closing metathesis reaction of tetraene 7 to prepare spirocycle 6 and a reductive Heck reaction to introduce the aryl moiety. This latter reaction discriminates the olefins of compound 6 and proceeds in a highly regio- and stereoselective manner.

  DOI：

  10.1021/ol006958g
• 作为产物：
  描述：

  对三氟甲氧基苯酚 在 碘 、 silver trifluoroacetate 、 potassium carbonate 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 90.0h， 生成 2-benzyloxy-5-(trifluoromethoxy)iodobenzene
  参考文献：
  名称：

  Stereocontrolled Syntheses of Epimeric 3-Aryl-6-phenyl-1-oxa-7-azaspiro[4.5]decane NK-1 Receptor Antagonist Precursors

  摘要：

  [GRAPHICS]Complementary stereoselective syntheses of individual C3 epimers of the NK-1 receptor antagonist precursor 1 have been developed. Both diastereomers were derived from the common intermediate 3; introduction of the 3S stereocenter in 1a was achieved through hydrogenation of an arylated dihydrofuran, whereas the corresponding stereogenic center in 1b was installed using a stereo- and regioselective alkene hydroarylation.

  DOI：

  10.1021/ol006944a

文献信息

• [EN] AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE SPIROETHER AZABICYCLIQUE UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR NK-1
  申请人：MERCK SHARP & DOHME

  公开号：WO2004031191A1

  公开（公告）日：2004-04-15

  The present invention relates compounds of the formula (I): wherein Z is -CR9R10CH2- or -CH2CR9R10-; and R1, R2, R3, R4, R5 and R6 are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migaine, emesis or postherpetic neuralgia.

  本发明涉及以下式(I)的化合物：其中Z为-CR9R10CH2-或-CH2CR9R10-；而R1、R2、R3、R4、R5和R6如本文所定义。这些化合物在治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面特别有用。
• Use of NK-1 receptor antagonists for treating stress disorders
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06087348A1

  公开（公告）日：2000-07-11

  The present invention provides the use of an orally active, long acting, CNS-penetrant NK-1 receptor antagonist for the manufacture of a medicament adapted for oral administration for the treatment or prevention of stress disorders without concomitant therapy with other anti-stress agents, methods of treatment using such a NK-1 receptor antagonist and pharmaceutical compositions comprising it.

  本发明提供了口服活性长效、穿透中枢神经系统的NK-1受体拮抗剂的使用，用于制备适用于口服治疗或预防压力障碍的药物，无需同时使用其他抗压药物，以及使用该NK-1受体拮抗剂进行治疗的方法和包含它的药物组合物。
• Use of NK-1 receptor antagonists for treating major depressive disorders
  申请人：Merck Sharp & Dohme Limited

  公开号：US06613765B1

  公开（公告）日：2003-09-02

  The present invention provides methods for the treatment of major depressive disorders comprising oral administration of an orally active, long acting, CNS-penetrant NK-1 receptor antagonist and pharmaceutical compositions comprising such a NK-1 receptor antagonist.

  本发明提供了治疗重度抑郁症的方法，包括口服给药口服活性、长效、穿透中枢神经系统的NK-1受体拮抗剂，以及包含这种NK-1受体拮抗剂的药物组合物。
• Use of NK-1 receptor antagonists for treating bipolar disorders
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US05977104A1

  公开（公告）日：1999-11-02

  The present invention provides methods for the treatment or prevention of bipolar disorder without concomitant therapy with other antidepressant or anti-anxiety agents which comprises oral administration of an orally active, long acting, CNS-penetrant NK-1 receptor antagonist and pharmaceutical compositions comprising such a NK-1 receptor antagonist.

  本发明提供了治疗或预防双相情感障碍的方法，而无需同时使用其他抗抑郁或抗焦虑药物，该方法包括口服给药口服活性、长效、穿透中枢神经系统的NK-1受体拮抗剂，以及包含该NK-1受体拮抗剂的药物组合物。
• Biomass derived furfural-based facile synthesis of protected (2<i>S</i>)-phenyl-3-piperidone, a common intermediate for many drugs
  作者：P.-F. Koh、P. Wang、J.-M. Huang、T.-P. Loh

  DOI：10.1039/c4cc02645d

  日期：——

  The efficient conversion of rice straw into a key intermediate to access various drugs has been developed.

  稻草高效转化为关键中间体，用于生产各种药物。