N1-methyl-4-(bromomethyl)-5-cyano-2-ethoxybenzamide | 474554-11-5

• 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: N1-methyl-4-(bromomethyl)-5-cyano-2-ethoxybenzamide
• 英文别名: 4-bromomethyl-5-cyano-2-ethoxy-N-methylbenzamide；4-(bromomethyl)-5-cyano-2-ethoxy-N-methylbenzamide
• CAS: 474554-11-5
• 化学式: C₁₂H₁₃BrN₂O₂
• 分子量: 297.151
• InChiKey: OZGFJGJUKDQFLK-UHFFFAOYSA-N

物化性质

• 沸点：
  411.9±45.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N1-methyl-4-(bromomethyl)-5-cyano-2-ethoxybenzamide 在 sodium azide 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 N1-methyl-4-(azidomethyl)-5-cyano-2-ethoxybenzamide
  参考文献：
  名称：

  2-IMINOPYRROLIDINE DERIVATES

  摘要：

  公开号：

  EP1391451B1
• 作为产物：
  描述：

  tert-butyl N-[4-(bromomethyl)-5-cyano-2ethoxybenzoyl]-N-methylcarbamate 在 silica gel 、 ethyl acetate n-hexane 作用下， 以 二氯甲烷 、 三氟乙酸 为溶剂， 反应 0.5h， 以to yield the title compound (19.77 g) as a white solid的产率得到N1-methyl-4-(bromomethyl)-5-cyano-2-ethoxybenzamide
  参考文献：
  名称：

  2-iminopyrrolidine derivatives

  摘要：

  一种由以下式子表示的2-伊米诺吡咯烷衍生物：{其中环B代表苯环、吡啶环等；R101-R103代表氢、卤素、C1-6烷基等；R5代表氢、C1-6烷基、C1-6烷氧基-C1-6烷基等；R6代表氢、C1-6烷基、C1-6烷氧羰基等；Y1代表单键、—CH2—等；Y2代表单键、—CO—等；Ar代表氢、由以下式子表示的基团：[其中R10-R14代表氢、C1-6烷基、羟基、C1-6烷氧基等；且R11和R12或R12和R13可以结合形成5-至8-成员的杂环]等。}或其盐。

  公开号：

  US07244730B2

文献信息

• Condensed imidazole derivatives
  申请人：Eisai Co., Ltd.

  公开号：US20040116328A1

  公开（公告）日：2004-06-17

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof 1 wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及以下公式所代表的化合物，或其盐或水合物 其中， T 1 代表一个含有一个或两个氮原子的4-至12-成员杂环基团，在环中是单环或双环结构，可能具有一个或多个取代基; X代表一个C 1-6 烷基基团，可能具有一个或多个取代基，或类似物; Z 1 和Z 2 各自独立地代表一个氮原子或由公式—CR 2 —所代表的基团; R 1 和R 2 独立地代表氢原子，一个C 1-6 烷基基团，可能具有一个或多个取代基，或一个C 1-6 烷氧基基团，可能具有一个或多个取代基，或类似物。 这些是表现出优异DPPIV抑制活性的新颖化合物。
• Novel condensed imidazole derivatives
  申请人：Yoshikawa Seiji

  公开号：US20060100199A1

  公开（公告）日：2006-05-11

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent

  本发明涉及以下式子所表示的化合物、盐或水合物：其中，T1代表一个含有一个或两个氮原子的4-至12元杂环基团，它是一个单环或双环结构，可能有一个或多个取代基；X代表一个C1-6烷基基团，它可能有一个或多个取代基，或者如此；Z1和Z2各自独立地代表一个氮原子或者由公式—CR2—所表示的基团；R1和R2各自独立地代表一个氢原子，一个C1-6烷基基团，它可能有一个或多个取代基，或者一个C1-6烷氧基基团，它可能有一个或多个取代基，或者如此。这些是新颖的化合物，具有优异的性能。
• 2-Iminopyrrolidine derivatives
  申请人：Suzuki Shuichi

  公开号：US20050245592A1

  公开（公告）日：2005-11-03

  A 2-iminopyrrolidine derivative represented by the formula: wherein ring B represents a benzene ring, pyridine ring, etc.; R 101 -R 103 represent hydrogen, halogen, C 1-6 alkyl, etc.; R 5 represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy-C 1-6 alkyl, etc.; R 6 represents hydrogen, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, etc.; Y 1 represents a single bond, —CH 2 —, etc.; Y 2 represents a single bond, —CO—, etc.; and Ar represents hydrogen, a group represented by the formula: [wherein R 10 -R 14 represent hydrogen, C 1-6 alkyl, hydroxyl, C 1-6 alkoxy, etc.; and R 11 and R 12 or R 12 and R 13 may bond together to form a 5- to 8-membered heterocyclic ring], etc.}, or a salt thereof.

  一种2-伊米诺吡咯烷衍生物，其化学式为：其中环B代表苯环、吡啶环等；R101-R103代表氢、卤素、C1-6烷基等；R5代表氢、C1-6烷基、C1-6烷氧基-C1-6烷基等；R6代表氢、C1-6烷基、C1-6烷氧羰基等；Y1代表单键，-CH2-等；Y2代表单键，-CO-等；Ar代表氢，一个由以下式子表示的基团：[其中R10-R14代表氢、C1-6烷基、羟基、C1-6烷氧基等；R11和R12或R12和R13可以结合形成5-至8-成员的杂环]，等，或其盐。
• CONDENSED IMIDAZOLE DERIVATIVES
  申请人：Yoshikawa Seiji

  公开号：US20090018331A1

  公开（公告）日：2009-01-15

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及下式所示的化合物、盐或水合物： 其中， T1表示一个4-到12成员的杂环基团，在环中含有一个或两个氮原子，是单环或双环结构，可以有一个或多个取代基； X表示一个C1-6烷基基团，可以有一个或多个取代基； Z1和Z2各自独立地表示一个氮原子或由公式—CR2—表示的基团； R1和R2各自独立地表示氢原子、一个C1-6烷基基团，可以有一个或多个取代基，或一个C1-6烷氧基基团，可以有一个或多个取代基。 这些是具有出色的DPPIV抑制活性的新型化合物。
• NOVEL FUSED IMIDAZOLE DERIVATIVE
  申请人：Eisai Co., Ltd.

  公开号：EP1514552A1

  公开（公告）日：2005-03-16

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C1-6 alkyl group which may have one or more substituents, or such; Z1 and Z2 each independently represent a nitrogen atom or a group represented by the formula -CR2-; R1 and R2 independently represent a hydrogen atom, a C1-6 alkyl group which may have one or more substituents, or a C1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及下式所代表的化合物或其盐类或水合物 其中 T1 代表环中含有一个或两个氮原子的 4 至 12 元杂环基团，其为单环或双环结构，可具有一个或多个取代基； X 代表可带有一个或多个取代基的 C1-6 烷基，或此类； Z1和Z2各自独立地代表一个氮原子或一个由式-CR2-代表的基团； R1和R2各自独立地代表氢原子、C1-6烷基（可带有一个或多个取代基）或C1-6烷氧基（可带有一个或多个取代基）或此类基团。 这些新型化合物具有优异的 DPPIV 抑制活性。