4-chloro-N-(4-hydroxy-phenyl)-3-nitro-benzamide | 926892-34-4

• 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: 4-chloro-N-(4-hydroxy-phenyl)-3-nitro-benzamide
• 英文别名: 4-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
• CAS: 926892-34-4
• 化学式: C₁₃H₉ClN₂O₄
• 分子量: 292.678
• InChiKey: PEXVQZMLRAXKOE-UHFFFAOYSA-N

物化性质

• 沸点：
  417.9±45.0 °C(Predicted)
• 密度：
  1.536±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(4-hydroxy-phenyl)-3-nitro-benzamide 、 氯甲基乙醚 在 sodium hydride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 1.0h， 以81%的产率得到4-chloro-N-(4-ethoxymethoxy-phenyl)-3-nitro-benzamide
  参考文献：
  名称：

  WO2007/20400

  摘要：

  公开号：
• 作为产物：
  描述：

  对氨基苯酚 、 3-硝基-4-氯苯甲酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到4-chloro-N-(4-hydroxy-phenyl)-3-nitro-benzamide
  参考文献：
  名称：

  WO2007/20400

  摘要：

  公开号：

文献信息

• Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents
  申请人：Storey Anthony Eamon

  公开号：US20100234611A1

  公开（公告）日：2010-09-16

  The invention relates to a process for preparation of a compound of formula (I): R 1 is selected from C 1-6 alkyl, C 2-6 alkenyl, and C 2-6 alkynyl; which comprises: (i) reaction with fluoride, suitably [ 18 F]fluoride, of a corresponding compound of formula (II): wherein R 2 is selected from hydrogen, C 1-10 alkyl, C 1-10 haloalkyl, C 6-14 aryl, C 6-14 arylalkyl, —(CH 2 CH 2 O) q —CH 3 wherein q is an integer of from 1 to 10; R 1 is as defined for the compound of formula (I); and R 3 is a leaving group. Certain novel precursors of formula (II) and radiopharmaceutical kits containing such precursors are also claimed.

  本发明涉及一种制备式(I)化合物的方法：其中R1选自C1-6烷基，C2-6烯基和C2-6炔基; 包括：(i)用氟化物，适宜地[18F]氟化物，与式(II)的相应化合物反应：其中R2选自氢，C1-10烷基，C1-10卤代烷基，C6-14芳基，C6-14芳基烷基，—(CH2CH2O)q—CH3，其中q为1至10的整数; R1如式(I)的化合物所定义; R3是一个离去基团。还声明了某些新型的式(II)的前体和含有这些前体的放射性药物配套件。
• Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents
  申请人：Storey Anthony Eamon

  公开号：US08410312B2

  公开（公告）日：2013-04-02

  The invention relates to a process for preparation of a compound of formula (I): R1 is selected from C1-6alkyl, C2-6alkenyl, and C2-6alkynyl; which comprises: (i) reaction with fluoride, suitably [18F]fluoride, of a corresponding compound of formula (II): wherein R2 is selected from hydrogen, C1-10alkyl, C1-10haloalkyl, C6-14aryl, C6-14arylalkyl, —(CH2CH2O)q—CH3 wherein q is an integer of from 1 to 10; R1 is as defined for the compound of formula (I); and R3 is a leaving group. Certain novel precursors of formula (II) and radiopharmaceutical kits containing such precursors are also claimed.

  本发明涉及制备式（I）的化合物的方法：其中R1选自C1-6烷基，C2-6烯基和C2-6炔基；其包括以下步骤：（i）与氟化物反应，适宜地与[18F]氟化物反应，反应对应的式（II）的化合物：其中R2选自氢，C1-10烷基，C1-10卤代烷基，C6-14芳基，C6-14芳基烷基，-(CH2CH2O)q-CH3，其中q是1到10的整数；R1如式（I）中定义；R3是一个离去基团。还声明了某些新的式（II）的前体和包含这种前体的放射性药物套件。
• FLUORINATION PROCESS
  申请人：GE HEALTHCARE LIMITED

  公开号：US20130225829A1

  公开（公告）日：2013-08-29

  The invention relates to a process for preparation of a compound of formula (I): R 1 is selected from C 1-6 alkyl, C 2-6 alkenyl, and C 2-6 alkynyl; which comprises: (i) reaction with fluoride, suitably [ 18 F]fluoride, of a corresponding compound of formula (II): wherein R 2 is selected from hydrogen, C 1-10 alkyl, C 1-10 haloalkyl, C 6-14 aryl, C 6-14 arylalkyl, —(CH 2 CH 2 O) q —CH 3 wherein q is an integer of from 1 to 10; R 1 is as defined for the compound of formula (I); and R 3 is a leaving group. Certain novel precursors of formula (II) and radiopharmaceutical kits containing such precursors are also claimed.

  本发明涉及一种制备式(I)化合物的过程：其中R1选自C1-6烷基，C2-6烯基和C2-6炔基；包括以下步骤：(i)用氟化物，适当地是[18F]氟化物，与相应的式(II)化合物反应：其中R2选自氢，C1-10烷基，C1-10卤代烷基，C6-14芳基，C6-14芳基烷基，—(CH2CH2O)q—CH3，其中q是1到10的整数；R1如式(I)化合物定义；且R3是一个离去基团。还声明了某些新型的式(II)前体和包含这种前体的放射性药物套装。
• Fluorination process
  申请人：GE HEALTHCARE LIMITED

  公开号：US09126961B2

  公开（公告）日：2015-09-08

  The invention relates to a process for preparation of a compound of formula (I): R1 is selected from C1-6alkyl, C2-6alkenyl, and C2-6alkynyl; which comprises: (i) reaction with fluoride, suitably [18F]fluoride, of a corresponding compound of formula (II): wherein R2 is selected from hydrogen, C1-10alkyl, C1-10haloalkyl, C6-14aryl, C6-14arylalkyl, —(CH2CH2O)q—CH3 wherein q is an integer of from 1 to 10; R1 is as defined for the compound of formula (I); and R3 is a leaving group. Certain novel precursors of formula (II) and radiopharmaceutical kits containing such precursors are also claimed.

  本发明涉及一种制备式(I)化合物的过程：其中R1选择自C1-6烷基，C2-6烯基和C2-6炔基; 包括：(i)使用氟化物，适宜地[18F]氟化物，反应相应的式(II)化合物：其中R2选择自氢，C1-10烷基，C1-10卤代烷基，C6-14芳基，C6-14芳基烷基，-(CH2CH2O)q-CH3，其中q为1至10的整数; R1如式(I)化合物所定义; 且R3是一个离去基团。还要求某些新的式(II)前体和包含这些前体的放射性药剂套件。
• Fluorination Process
  申请人：GE Healthcare Limited

  公开号：US20150328344A1

  公开（公告）日：2015-11-19

  The invention relates to a process for preparation of a compound of formula (I): R 1 is selected from C 1-6 alkyl, C 2-6 alkenyl, and C 2-6 alkynyl; which comprises: (i) reaction with fluoride, suitably [ 18 F]fluoride, of a corresponding compound of formula (II): wherein R 2 is selected from hydrogen, C 1-10 alkyl, C 1-10 haloalkyl, C 6-14 aryl, C 6-14 arylalkyl, —(CH 2 CH 2 O) q —CH 3 wherein q is an integer of from 1 to 10; R 1 is as defined for the compound of formula (I); and R 3 is a leaving group. Certain novel precursors of formula (II) and radiopharmaceutical kits containing such precursors are also claimed.

  本发明涉及一种制备式（I）化合物的过程：其中R1选择自C1-6烷基，C2-6烯基和C2-6炔基；包括以下步骤：（i）用氟化物，适宜地用[18F]氟化物，反应对应的式（II）化合物：其中R2选择自氢，C1-10烷基，C1-10卤代烷基，C6-14芳基，C6-14芳基烷基，—（CH2CH2O）q—CH3，其中q为1至10的整数；R1如式（I）化合物定义；和R3是一个离去基团。还声明了某些新的式（II）前体和包含这些前体的放射性药剂组。