tert-butyl 7-hydroxy-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate | 957204-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: tert-butyl 7-hydroxy-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate
• 英文别名: 4-(tert-butoxycarbonyl)-7-hydroxy-2,3-dihydrobenzo[1,4]oxazine；4-Tert-butoxycarbonyl-7-hydroxy-2,3-dihydrobenzo[1,4]oxazine；tert-butyl 7-hydroxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
• CAS: 957204-44-3
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: SIFFSBFFNYIMRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-chloromethyl-3-phenyl-2-trifluoromethylthiophene 、 tert-butyl 7-hydroxy-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 4-tert-Butoxycarbonyl-7-[(4-phenyl-5-trifluoromethyl-2-thienyl)methoxy]-2,3-dihydrobenzo[1,4]oxazine
  参考文献：
  名称：

  EP2017263

  摘要：

  公开号：
• 作为产物：
  描述：

  7-(benzyloxy)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxylic acid tert-butyl ester 在 钯 氢气 、 silica gel 、 title compound 作用下， 以 甲醇 、 四氢呋喃 为溶剂， 反应 2.0h， 生成 tert-butyl 7-hydroxy-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate
  参考文献：
  名称：

  HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE

  摘要：

  提供一种新型化合物，具有S1P受体激动活性，表现出优异的免疫抑制效果，产生较少的不良副作用，并可口服。本发明提供一种由通式（I）表示的化合物（其中A是单键，-O-或-CH2-；R1表示氢原子或C1-C6烷基基团，V表示从以下组（1）至（3）中选择的任一组：（1）-G1-，（2）-G2-N（R2）-G3-，以及（3）由式2表示的组，其中Z1和Z2分别表示氢原子或C1-C6烷基基团，Z3表示氢或类似物，Q表示-CH2-O-或类似物，Y表示由式3表示的基团，其盐或溶剂化物。

  公开号：

  US20090324581A1

文献信息

• 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：BAO JIANMING

  公开号：US20170183342A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,7-二氢-5H-吡咯[3,4-b]吡啶-5-酮化合物，这些化合物是M4毒蕈碱乙酰胆碱受体的变构调节剂。本发明还涉及在本申请中描述的化合物在潜在治疗或预防神经和精神障碍和疾病中的应用，其中涉及M4毒蕈碱乙酰胆碱受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及M4毒蕈碱乙酰胆碱受体的疾病的应用。
• 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Bao Jianming

  公开号：US10329289B2

  公开（公告）日：2019-06-25

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及 6,7-二氢-5H-吡咯并[3,4-b]吡啶-5-酮化合物，这些化合物是 M4 肌 肉碱乙酰胆碱受体的异构调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 肌卡因乙酰胆碱受体的神经和精神障碍及疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10351564B2

  公开（公告）日：2019-07-16

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及 6,7-二氢-5H-吡咯并[3,4-b]吡啶-5-酮化合物，这些化合物是 M4 肌 肉碱乙酰胆碱受体的异构调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 肌卡因乙酰胆碱受体的神经和精神障碍及疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• [EN] 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES 6,7-DIHYDRO -5H-PYRROLO[3,4-B]PYRIDIN-5-ONE DU RÉCEPTEUR DE L'ACÉTYLCHOLINE MUSCARINIQUE M4
  申请人：MERCK SHARP & DOHME

  公开号：WO2017107087A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6, 7-dihydro-5H-pyrrolo [3, 4-b] pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.
• [EN] 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES 6,7-DIHYDRO-5H-PYRROLO[3,4-B] PYRIDINE-5-ONE DU RÉCEPTEUR DE L'ACÉTYLCHOLINE MUSCARINIQUE M4
  申请人：MERCK SHARP & DOHME

  公开号：WO2017112719A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved. Formula (I).