N,N-dimethyl-glycine [4-(2-benzoyl-4-chloro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylmethyl]-amide | 64194-77-0

• 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: N,N-dimethyl-glycine [4-(2-benzoyl-4-chloro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylmethyl]-amide
• 英文别名: 5-chloro-2-[3-(2-dimethylaminoacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone；N-[[4-(2-benzoyl-4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]-2-(dimethylamino)acetamide
• CAS: 64194-77-0
• 化学式: C₂₁H₂₂ClN₅O₂
• 分子量: 411.891
• InChiKey: PWYFEQLHIYSJBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  80.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-chloro-2-<3-<(α-chloroacetamido)methyl>-5-methyl-4H-1,2,4-triazol-4-yl>benzophenone 、 二甲胺 、 在 二氯甲烷 、 碳酸氢钠 、 水 、 Sodium sulfate-III 、 silica gel 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 24.0h， 以whereby 5-chloro-2-[3-(2-dimethylaminoacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone is obtained as a colorless oil的产率得到N,N-dimethyl-glycine [4-(2-benzoyl-4-chloro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylmethyl]-amide
  参考文献：
  名称：

  Triazolylbenzophenone derivatives and production thereof

  摘要：

  公式：##STR1##（其中R代表氢，C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，--（CH.sub.2）.sub.n--X--R.sup.5基团，或##STR2##R.sup.5代表氢，C.sub.1-C.sub.6烷基，C.sub.2-C.sub.6烯基，C.sub.2-C.sub.6炔基，C.sub.6-C.sub.10芳基或C.sub.2-C.sub.8酰基; X代表硫或氧; n代表0、1、2或3; R.sup.6和R.sup.7各代表氢或C.sub.1-C.sub.6烷基; 或者##STR3##代表吡咯烷基，哌啶基，吗啉基或γ-甲基哌嗪基; R.sup.1代表氢或卤素; R.sup.2代表卤素，硝基或三氟甲基; R.sup.3代表C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，C.sub.1-C.sub.6偶氮基烷基，C.sub.6-C.sub.10芳基，C.sub.2-C.sub.8酰基，或##STR4##R.sup.4和R.sup.8各代表氢，C.sub.1-C.sub.6烷基或C.sub.7-C.sub.10芳基烷基; R.sup.9代表氢或C.sub.1-C.sub.6烷基; R.sup.10代表氢，C.sub.1-C.sub.6烷基，C.sub.7-C.sub.10芳基烷基或C.sub.2-C.sub.11α-氨基酰基; 或者##STR5##代表邻二甲酰亚胺基，吡咯烷基，哌啶基，吗啉基或γ-甲基哌嗪基）及其药学上可接受的酸加盐，用作抗焦虑药、镇静剂、催眠剂、抗惊厥药、肌肉松弛剂、抗抑郁药，它们的合成中间体和制备方法。

  公开号：

  US04147700A1

文献信息

• Triazolylbenzophenone derivatives and production thereof
  申请人：Shionogi & Co., Ltd.

  公开号：US04147700A1

  公开（公告）日：1979-04-03

  Triazolylbenzophenone derivatives of the formula: ##STR1## (wherein R represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 halo-alkyl, the group --(CH.sub.2).sub.n --X--R.sup.5, or the group ##STR2## R.sup.5 represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.6 alkenyl, C.sub.2 -C.sub.6 alkynyl, C.sub.6 -C.sub.10 aryl, or C.sub.2 -C.sub.8 acyl; X represents sulfur or oxygen; n represents 0, 1, 2, or 3; R.sup.6 and R.sup.7 each represents hydrogen or C.sub.1 -C.sub.6 alkyl; or the group ##STR3## represents pyrrolidino, piperidino, morpholino, or .gamma.-methylpiperazino; R.sup.1 represents hydrogen or halogen; R.sup.2 represents halogen, nitro, or trifluoromethyl; R.sup.3 represents C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 halo-alkyl, C.sub.1 -C.sub.6 azido-alkyl, C.sub.6 -C.sub.10 aryl, C.sub.2 -C.sub.8 acyl, or the group ##STR4## R.sup.4 and R.sup.8 each represents hydrogen, C.sub.1 -C.sub.6 alkyl, or C.sub.7 -C.sub.10 aralkyl; R.sup.9 represents hydrogen or C.sub.1 -C.sub.6 alkyl; R.sup.10 represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.7 -C.sub.10 aralkyl, or C.sub.2 -C.sub.11 .alpha.-amino-acyl; or the group ##STR5## represents phthalimido, pyrrolidino, piperidino, morpholino, or .gamma.-methylpiperazino) and their pharmaceutically acceptable acid addition salts, useful as anxiolytics, sedatives, hypnotics, anticonvulsants, muscle relaxants, antidepressants, their synthetic intermediates, and their preparation.

  公式：##STR1##（其中R代表氢，C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，--（CH.sub.2）.sub.n--X--R.sup.5基团，或##STR2##R.sup.5代表氢，C.sub.1-C.sub.6烷基，C.sub.2-C.sub.6烯基，C.sub.2-C.sub.6炔基，C.sub.6-C.sub.10芳基或C.sub.2-C.sub.8酰基; X代表硫或氧; n代表0、1、2或3; R.sup.6和R.sup.7各代表氢或C.sub.1-C.sub.6烷基; 或者##STR3##代表吡咯烷基，哌啶基，吗啉基或γ-甲基哌嗪基; R.sup.1代表氢或卤素; R.sup.2代表卤素，硝基或三氟甲基; R.sup.3代表C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，C.sub.1-C.sub.6偶氮基烷基，C.sub.6-C.sub.10芳基，C.sub.2-C.sub.8酰基，或##STR4##R.sup.4和R.sup.8各代表氢，C.sub.1-C.sub.6烷基或C.sub.7-C.sub.10芳基烷基; R.sup.9代表氢或C.sub.1-C.sub.6烷基; R.sup.10代表氢，C.sub.1-C.sub.6烷基，C.sub.7-C.sub.10芳基烷基或C.sub.2-C.sub.11α-氨基酰基; 或者##STR5##代表邻二甲酰亚胺基，吡咯烷基，哌啶基，吗啉基或γ-甲基哌嗪基）及其药学上可接受的酸加盐，用作抗焦虑药、镇静剂、催眠剂、抗惊厥药、肌肉松弛剂、抗抑郁药，它们的合成中间体和制备方法。
• Process for producing triazolylbenzophenone derivatives
  申请人：Shionogi & Co., Ltd.

  公开号：US04141901A1

  公开（公告）日：1979-02-27

  Triazolylbenzophenone derivatives of the formula: ##STR1## (wherein R represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 halo-alkyl, the group --(CH.sub.2).sub.n -X-R.sup.5, or the group ##STR2## R.sup.5 represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.6 alkenyl, C.sub.2 -C.sub.6 alkynyl, C.sub.6 -C.sub.10 aryl, or C.sub.2 -C.sub.8 acyl; X represents sulfur or oxygen; n represents 0, 1, 2, or 3; R.sup.6 and R.sup.7 each represents hydrogen or C.sub.1 -C.sub.6 alkyl; or the group ##STR3## represents pyrrolidino, piperidino, morpholino, or .gamma.-methylpiperazino; R.sup.1 represents hydrogen or halogen; R.sup.2 represents halogen nitro, or trifluoromethyl; R.sup.3 represents C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 halo-alkyl, C.sub.1 -C.sub.6 azido-alkyl, C.sub.6 -C.sub.10 aryl, C.sub.2 -C.sub.8 acyl, or the group ##STR4## R.sup.4 and R.sup.8 each represents hydrogen, C.sub.1 -C.sub.6 alkyl, or C.sub.7 -C.sub.10 aralkyl; R.sup.9 represents hydrogen or C.sub.1 -C.sub.6 alkyl; R.sup.10 represents hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.7 -C.sub.10 aralkyl, or C.sub.2 -C.sub.11 .alpha.-amino-acyl; or the group ##STR5## represents phthalimido, pyrrolidino, piperidino, morpholino, or .gamma.-methylpiperazino) and their pharmaceutically acceptable acid addition salts, useful as anxiolytics, sedatives, hypnotics, anticonvulsants, muscle relaxants, antidepressants, their synthetic intermediates, and their preparation.

  该公式表示三唑基苯甲酮衍生物：##STR1##（其中R代表氢，C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，--（CH.sub.2）.sub.n-X-R.sup.5基团，或##STR2## R.sup.5代表氢，C.sub.1-C.sub.6烷基，C.sub.2-C.sub.6烯基，C.sub.2-C.sub.6炔基，C.sub.6-C.sub.10芳基，或C.sub.2-C.sub.8酰基；X代表硫或氧；n代表0、1、2或3；R.sup.6和R.sup.7各代表氢或C.sub.1-C.sub.6烷基；或##STR3##代表吡咯烷基，哌啶基，吗啉基或.γ.-甲基哌嗪基；R.sup.1代表氢或卤素；R.sup.2代表卤素，硝基或三氟甲基；R.sup.3代表C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6卤代烷基，C.sub.1-C.sub.6偶氮基烷基，C.sub.6-C.sub.10芳基，C.sub.2-C.sub.8酰基，或##STR4## R.sup.4和R.sup.8各代表氢，C.sub.1-C.sub.6烷基或C.sub.7-C.sub.10芳基烷基；R.sup.9代表氢或C.sub.1-C.sub.6烷基；R.sup.10代表氢，C.sub.1-C.sub.6烷基，C.sub.7-C.sub.10芳基烷基或C.sub.2-C.sub.11 .alpha.-氨基酰基；或##STR5##代表邻苯二甲酰亚胺基，吡咯烷基，哌啶基，吗啉基或.γ.-甲基哌嗪基的药学上可接受的酸盐，用作抗焦虑药、镇静药、催眠药、抗癫痫药、肌肉松弛剂、抗抑郁药，其合成中间体和制备方法。
• US4141901A
  申请人：——

  公开号：US4141901A

  公开（公告）日：1979-02-27
• US4143048A
  申请人：——

  公开号：US4143048A

  公开（公告）日：1979-03-06
• US4147700A
  申请人：——

  公开号：US4147700A

  公开（公告）日：1979-04-03