4-(Trifluoromethoxy)cyclopropoxybenzene | 223690-00-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(Trifluoromethoxy)cyclopropoxybenzene
• 英文别名: O-cyclopropyloxy-4-trifluoromethoxybenzene；1-(Cyclopropyloxy)-4-(trifluoromethoxy)benzene；1-cyclopropyloxy-4-(trifluoromethoxy)benzene
• CAS: 223690-00-4
• 化学式: C₁₀H₉F₃O₂
• 分子量: 218.175
• InChiKey: JYZUGBOAMHMMEW-UHFFFAOYSA-N

物化性质

• 沸点：
  215.1±35.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  N,N-二甲基甲酰胺 、 4-(Trifluoromethoxy)cyclopropoxybenzene 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到2-(cyclopropoxy)-5-(trifluoromethoxy)benzaldehyde
  参考文献：
  名称：

  A Stereoselective Synthesis of (±)-3-Aryl-6-phenyl-1-oxa-7-azaspiro[4.5]-decanes

  摘要：

  报告了 3-芳基-6-苯基-1-氧杂-7-氮杂螺[4.5]癸烷环的新型立体选择性合成。钯（0）介导的δ-碘烯丙基醇环羰基化是形成螺环的关键步骤。

  DOI：

  10.1055/s-2003-42040
• 作为产物：
  描述：

  对三氟甲氧基苯酚 在 naphthalen-1-yl-lithium 、 silver carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 60.0h， 生成 4-(Trifluoromethoxy)cyclopropoxybenzene
  参考文献：
  名称：

  一种由苯酚制备芳基环丙基醚的简便方法

  摘要：

  描述了由酚合成环丙基醚的一般方法。使用1-碘-1-（苯硫基）环丙烷烷基化苯酚，然后除去苯硫基基团，以适中至优异的收率提供了环丙基醚。该程序可耐受各种官能团。

  DOI：

  10.1016/s0040-4039(99)00235-x

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。
• Spirocyclic ketones and their use as tachykinin antagonists
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06372754B1

  公开（公告）日：2002-04-16

  The present invention relates compounds of the formula (I): wherein R1, R2, R3, R4 and R5 represent a variety of substituents; R6 represents hydrogen, CORa, CO2Ra, COCONRaRb, COCO2Ra, C1-6alkyl optionally substituted by a group selected from (CO2Ra, CONRaRb, hydroxy, CN, CORa, NRaRb, C(NOH)NRaRb, CONHphenyl(C1-4alkyl), COCO2Ra, CONHNRaRb, C(S)NRaRb, CONRaC1-6alkylR12, CONR13C2-6alkenyl, CONR13C2-6alkynyl, COCONRaRb, CONRaC(NRb)NRaRb, CONRaheteroaryl, and phenyl optionally substituted by one, two or three substituents selected from C1-6alky, C1-6alkoxy, halogen and trifluoromethyl); or R6 represents a group of formula —CH2C≡CCH2NR7R8 where R7 and R8 are as defined below; or R6 represents C1-6alkyl, optionally substituted by oxo, substituted by a 5-membered or 6-membered heterocyclic ring containing 1, 2 or 3 nitrogen atoms optionally substituted by ═O or ═S and optionally substituted by a group of the formula ZNR7R8; or a pharmaceutical acceptable salt thereof. The compounds are tachykinin antagonists and are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpic neuralgia.

  本发明涉及式（I）的化合物：其中R1，R2，R3，R4和R5代表各种取代基; R6代表氢，CORa，CO2Ra，COCONRaRb，COCO2Ra，C1-6烷基（可选地被选择自（CO2Ra，CONRaRb，羟基，CN，CORa，NRaRb，C（NOH）NRaRb，CONH苯基（C1-4烷基），COCO2Ra，CONHNRaRb，C（S）NRaRb，CONRaC1-6烷基R12，CONR13C2-6烯基，CONR13C2-6炔基，COCONRaRb，CONRaC（NRb）NRaRb，CONRaheteroaryl和苯基（可选地被选择自一个，两个或三个取代基，所述取代基选择自C1-6烷基，C1-6烷氧基，卤素和三氟甲基）; 或R6代表式的基团-CH2C≡CCH2NR7R8，其中R7和R8如下所定义; 或R6代表C1-6烷基，可选地被氧代取代，被含有1、2或3个氮原子的5元或6元杂环环取代，所述杂环环可选地被═O或═S取代，且可选地被ZNR7R8的式的基团取代; 或其药学上可接受的盐。这些化合物是缓激肽拮抗剂，特别适用于治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。
• SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1161419A1

  公开（公告）日：2001-12-12
• US6372754B1
  申请人：——

  公开号：US6372754B1

  公开（公告）日：2002-04-16
• [EN] SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS<br/>[FR] CETONES SPIROCYCLIQUES ET LEURS UTILISATION COMME ANTAGONISTES DES TACHYKININES
  申请人：MERCK SHARP & DOHME

  公开号：WO2000047562A1

  公开（公告）日：2000-08-17

  The present invention relates compounds of formula (I): wherein R?1, R2, R3, R4 and R5¿ represent a variety of substituents; R6 represents hydrogen, CORa, CO2Ra, COCONRaRb, COCO¿2R?a, C1-6alkyl optionally substituted by a group selected from (CO2R?a, CONRaRb¿, hydroxy, CN, COR?a, NRaRb¿, C(NOH)NRaRb, CONHphenyl(C¿1-4?alkyl), COCO2R?a¿, CONHNRaRb, C(S)NR?aRb, CONRaC¿1-6alkylR?12, CONR13C¿2-6alkenyl, CONR13C2-6alkynyl, COCONR?aRb, CONRaC(NRb)NRaRb, CONRa¿heteroaryl, and phenyl optionally substituted by one, two or three substituents selected from C¿1-6?alkyl, C1-6alkoxy, halogen and trifluoromethyl); or R?6¿ represents a group of formula -CH¿2?C CCH2NR?7R8¿ where R?7 and R8¿ are as defined below; or R6 represents C¿1-6?alkyl, optionally substituted by oxo, substituted by a 5-membered or 6-membered heterocyclic ring containing 1, 2 or 3 nitrogen atoms optionally substituted by =O or =S and optionally substituted by a group of the formula ZNR?7R8¿; or a pharmaceutically acceptable salt thereof. The compounds are tachykinin antagonists and are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpic neuralgia.