5-Ethynyl-2-trifluoromethoxy-benzoic acid | 1108623-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Ethynyl-2-trifluoromethoxy-benzoic acid
• 英文别名: 5-ethynyl-2-(trifluoromethoxy)benzoic acid
• CAS: 1108623-71-7
• 化学式: C₁₀H₅F₃O₃
• 分子量: 230.143
• InChiKey: ZHIPZEGMMVNXOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Ethynyl-2-trifluoromethoxy-benzoic acid 、 4-溴-3-甲基苄胺 在 bis-triphenylphosphine-palladium(II) chloride 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以30%的产率得到5-(4-Carbamoyl-2-methyl-phenylethynyl)-2-trifluoromethoxy-benzoic acid
  参考文献：
  名称：

  Alpha-alkyl substituted N-acyltryptophanols

  摘要：

  本发明涉及式I的α-烷基取代的N-酰基色氨酸醇，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松的预防和/或治疗。

  公开号：

  EP2025669A1
• 作为产物：
  描述：

  2-Trifluoromethoxy-5-trimethylsilanylethynyl-benzoic acid methyl ester 在 ether-diethyl ether 、 水 、 盐酸 作用下， 以 氢氧化钾 、 水 为溶剂， 反应 16.0h， 以The title compound was obtained in 76% yield的产率得到5-Ethynyl-2-trifluoromethoxy-benzoic acid
  参考文献：
  名称：

  ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS

  摘要：

  本发明涉及式I中α-烷基取代的N-酰基色氨酸醇化合物，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。

  公开号：

  US20090069328A1

文献信息

• Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols
  申请人：WORTMANN Lars

  公开号：US20090082372A1

  公开（公告）日：2009-03-26

  The present invention relates to arylmethylene substituted N-Acyl-β-amino alcohols of the formula I in which Y is selected from the aryl or heteroaryl groups: and R1, R2, R3, R4, R5, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及公式I的芳基亚甲基取代的N-酰基-β-氨基醇化合物，其中Y选自芳基或杂芳基基团：R1，R2，R3，R4，R5，Q，X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS
  申请人：Wortmann Lars

  公开号：US20090069328A1

  公开（公告）日：2009-03-12

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula I in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及式I中α-烷基取代的N-酰基色氨酸醇化合物，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• [EN] ARYLMETHYLENE SUBSTITUTED N-ACYL-ß-AMINO ALCOHOLS<br/>[FR] N-ACYL-?-AMINO ALCOOLS À SUBSTITUTION ARYLMÉTHYLÈNE
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2009013354A1

  公开（公告）日：2009-01-29

  The present invention relates to arylmethylene substituted N-Acyl-β-amino alcohols of the formula (I) : in which Y is selected from the aryl or heteroaryl groups: formula (II); and R1, R2, R3, R4, R5, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.
• [EN] a-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS<br/>[FR] N-ACYLTRYPTOPHANOLS SUBSTITUÉS PAR ?-ALKYLE
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2009021980A1

  公开（公告）日：2009-02-19

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula (I), in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.
• Alpha-alkyl substituted N-acyltryptophanols
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2025669A1

  公开（公告）日：2009-02-18

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula I in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及式I的α-烷基取代的N-酰基色氨酸醇，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松的预防和/或治疗。