AJG049 hydrochloride | 195991-50-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: AJG049 hydrochloride
• 英文别名: (R)-(+)-5,11-dihydro-5-[1-(4-methoxyphenethyl)-2-pyrrolidinylmethyl]-dibenzo[b,e][1,4]oxazepine hydrochloride；11-(((2R)-1-(2-(4-Methoxyphenyl)ethyl)pyrrolidin-2-yl)methyl)-6H-benzo(C)(1,5)benzoxazepine hydrochloride；11-[[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzoxazepine;hydrochloride
• CAS: 195991-50-5
• 化学式: C₂₇H₃₀N₂O₂*ClH
• 分子量: 451.008
• InChiKey: QVEPWCHFXPHWJG-GNAFDRTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 5,11-二氢二苯并[b,e][1,4]噁氮杂卓 以70的产率得到AJG049 hydrochloride
  参考文献：
  名称：

  5,11-dihydrodibenzo[b,e][1,4]oxazepine derivatives and pharmaceutical

  摘要：

  揭示了5,11-二氢二苯并[b,e][1,4]噁唑啶衍生物，例如(R)-(+)-5,11-二氢-5-[1-(4-甲氧基苯乙基)-2-吡咯啶甲基]二苯并[b,e][1,4]噁唑啶和(R)-(+)-5,11-二氢-5-[1-(4-氟苯乙基)-2-吡咯啶甲基]二苯并[b,e][1,4]噁唑啶，它们的立体异构体，相应的药理学可接受的盐，或水合物，以及含有这些5,11-二氢二苯并[b,e][1,4]噁唑啶衍生物的药物组合物。这些衍生物具有改善消化道运动功能的出色活性，并且没有副作用。

  公开号：

  US06127361A1

文献信息

• Process for producing new oxazepine derivatives
  申请人：AJINOMOTO CO. INC

  公开号：US20020133004A1

  公开（公告）日：2002-09-19

  A process for producing a 5-substituted-5,11-dihydro-debenzo [b,e] [1,4] oxazepine compound, wherein a [2-(2-bromobenzyloxy)phenyl]amide derivative having a substituent introduced through amido bond, the substituent locating at the 5-position of the final compound, as the starting material, is subjected to the intramolecular arylation and then the obtained product is reduced. In particular, (R)-1-[(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid [2-(2-bromo benzyloxy)phenyl]amide is subjected to the intramolecular arylation to obtain (R)-[[2-(5,11-dihydro-dibenzo[b,e][1,4]oxazepine-5-carbonyl)pyrrolidin]-1-yl]-2-(4-methoxyphenyl)ethanone and then this product is reduced.

  一种制备5-取代-5，11-二氢-二苯并[b，e][1,4]噁唑啉化合物的方法，其中以[R]-1-[(4-甲氧基苯基)乙酰基]吡咯烷-2-羧酸[2-(2-溴苄氧基)苯基]酰胺作为起始物质，通过分子内芳基化反应，然后还原所得产物。具体来说，将[R]-[2-(2-溴苄氧基)苯基]酰胺-[1-[(4-甲氧基苯基)乙酰基]吡咯烷-2-羧酸]经过分子内芳基化反应，得到(R)-[[2-(5,11-二氢-二苯并[b,e][1,4]噁唑啉-5-羰基)吡咯烷-1-基]-2-(4-甲氧基苯基)乙酮，然后还原该产物。
• 5,11-dihydrobenzo[b,e][1,4]oxazepine derivatives and pharmaceutical compositions containing the same
  申请人：Ajinomoto Co., Inc.

  公开号：US06436922B1

  公开（公告）日：2002-08-20

  Disclosed are 5,11-Dihydrodibenzo[b,e][1,4]oxazepine derivatives such as (R)-(+)-5,11-dihydro-5-[1-(4-methoxyphenethyl)-2-pyrrolidinylmethyl]dibenzo[b,e][1,4]oxazepine and (R)-(+)-5,11-dihydro-5-[1-(4-fluorophenethyl)-2-pyrrolidinylmethyl]dibenzo[b,e][1,4]oxazepine, stereoisomers thereof, pharmacologically acceptable salts thereof, or hydrates thereof and a pharmaceutical composition conating the 5,11-Dihydrodibenzo[b,e][1,4]oxazepine derivatives. The derivatives have an excellent activity of improving a digestive tract moving function and are free of side effect.

  本发明涉及5,11-二氢二苯并[b,e][1,4]噁唑啉衍生物，例如(R)-(+)-5,11-二氢-5-[1-(4-甲氧苯乙基)-2-吡咯烷基甲基]二苯并[b,e][1,4]噁唑啉和(R)-(+)-5,11-二氢-5-[1-(4-氟苯乙基)-2-吡咯烷基甲基]二苯并[b,e][1,4]噁唑啉，它们的立体异构体，其药理学上可接受的盐或水合物，以及含有5,11-二氢二苯并[b,e][1,4]噁唑啉衍生物的制药组合物。这些衍生物具有极佳的促进消化道运动功能的活性，并且没有副作用。
• 5,11-DIHYDRODIBENZ b,e] 1,4]OXAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAING THE DERIVATIVES
  申请人：Ajinomoto Co., Inc.

  公开号：EP0889043A1

  公开（公告）日：1999-01-07

  5,11-Dihydrodibenz[b,e][1,4]oxazepine derivatives such as (R-(+)-5,11-dihydro-5-[1(4-methoxyphenethyl)-2-pyrrolidinylmethyl]dibenz[b,e][1,4]oxazepine or (R)-(+)-5,11-dihydro-5-[1-(4-fluorophenethyl)-2-pyrrolidinylmethyl]dibenz[b,e][1,4]oxazepine; stereoisomers or them, pharmacologically acceptable salts of them and hydrates thereof; and drug compositions containing them. These compounds exhibit an excellent activity of improving the motor function of the digestive tract without any adverse effect.

  5,11-二氢二苯并[b,e][1,4]氧氮杂卓衍生物，如(R)-(+)-5,11-二氢-5-[1-(4-甲氧基苯乙基)-2-吡咯烷甲基]二苯并[b、e][1,4]氧氮杂卓或(R)-(+)-5,11-二氢-5-[1-(4-氟苯乙基)-2-吡咯烷甲基]二苯并[b,e][1,4]氧氮杂卓；立体异构体、药理学上可接受的盐及其水合物，以及含有它们的药物组合物。这些化合物在改善消化道运动功能方面表现出卓越的活性，且无任何不良影响。
• NOVEL PROCESSES FOR PREPARING OXAZEPINE DERIVATIVES
  申请人：Ajinomoto Co., Inc.

  公开号：EP1219611A1

  公开（公告）日：2002-07-03

  A [2-(2-bromobenzyloxy)phenyl] amide derivative having a substituent introduced through amido bond, the substituent locating at the 5-position of the final compound, as the starting material, is subjected to the intramolecular arylation and then the obtained product is reduced. In particular, (R)-1-[(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid [2-(2-bromo benzyloxy)phenyl]amide is subjected to the intramolecular arylation to obtain (R)-[[2-(5,11-dihydrodibenzo[b,e][1,4]oxazepine-5-carbonyl) pyrrolidin]-1-yl]-2-(4-methoxyphenyl)ethanone and then this product is reduced. This process is particularly useful for producing 5-substituted-5,11-dihydrodibenzo[b,e][1,4]oxazepine derivatives, particularly 5,11-dihydro-5-[1-(4-methoxyphenethyl)-2-pyrrolidinylmethyl]dibenzo- [b,e][1,4]oxazepine, on an industrial scale.

  一种[2-(2-溴苄氧基)苯基]酰胺衍生物作为起始原料，具有通过氨基键引入的取代基，该取代基位于最终化合物的 5 位，对其进行分子内芳基化反应，然后将得到的产物还原。其中，(R)-1-[(4-甲氧基苯基)乙酰基]吡咯烷-2-羧酸[2-(2-溴苄氧基)苯基]酰胺经分子内芳基化反应得到(R)-[[2-(5、11-二氢二苯并[b,e][1,4]氧氮杂卓-5-羰基)吡咯烷]-1-基]-2-(4-甲氧基苯基)乙酮，然后将该产物还原。该工艺特别适用于工业化生产 5-取代-5,11-二氢二苯并[b,e][1,4]氧氮杂卓衍生物，尤其是 5,11-二氢-5-[1-(4-甲氧基苯乙基)-2-吡咯烷基甲基]二苯并[b,e][1,4]氧氮杂卓。
• US6127361A
  申请人：——

  公开号：US6127361A

  公开（公告）日：2000-10-03