[6-chloro-3-(2-chloro-acetylamino)-4-(2-chloro-phenyl)-4-hydroxy-3,4-dihydro-quinazolin-2-ylmethyl]-carbamic acid benzyl ester | 64195-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: [6-chloro-3-(2-chloro-acetylamino)-4-(2-chloro-phenyl)-4-hydroxy-3,4-dihydro-quinazolin-2-ylmethyl]-carbamic acid benzyl ester
• 英文别名: 2-carbobenzoxyaminomethyl-3-(2-chloroacetamido)-4-hydroxy-4-(2-chlorophenyl)-6-chloro-3,4-dihydroquinazoline；benzyl N-[[6-chloro-3-[(2-chloroacetyl)amino]-4-(2-chlorophenyl)-4-hydroxyquinazolin-2-yl]methyl]carbamate
• CAS: 64195-01-3
• 化学式: C₂₅H₂₁Cl₃N₄O₄
• 分子量: 547.825
• InChiKey: QQNOZFMYWDMGDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-2-[[(苄氧基羰基)氨基]甲基]-6-氯-4-(2-氯苯基)-3,4-二氢-4-羟基喹唑啉 、 氯乙酰氯 以 N-甲基乙酰胺 为溶剂， 生成 [6-chloro-3-(2-chloro-acetylamino)-4-(2-chloro-phenyl)-4-hydroxy-3,4-dihydro-quinazolin-2-ylmethyl]-carbamic acid benzyl ester
  参考文献：
  名称：

  Process for producing triazolylbenzophenone derivatives

  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##基团，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叠氮基烷基、C.sub.6 -C.sub.10芳基、C.sub.2 -C.sub.8酰基或##STR4##基团；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。它们的药物可接受的酸盐，可用作抗焦虑药、镇静剂、催眠剂、抗癫痫药、肌肉松弛剂、抗抑郁药，它们的合成中间体以及它们的制备。

  公开号：

  US04141901A1

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。
• 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
• 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.

  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##基团，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叠氮基烷基、C.sub.6 -C.sub.10芳基、C.sub.2 -C.sub.8酰基或##STR4##基团；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。它们的药物可接受的酸盐，可用作抗焦虑药、镇静剂、催眠剂、抗癫痫药、肌肉松弛剂、抗抑郁药，它们的合成中间体以及它们的制备。