tert-butyl 2-(benzyloxy)-4-propionylbenzoate | 945222-49-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 2-(benzyloxy)-4-propionylbenzoate
• 英文别名: Tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
• CAS: 945222-49-1
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: SCJLSGMGPDSLNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(benzyloxy)-4-propionylbenzoate 在 palladium on activated charcoal 盐酸羟胺 、 氢气 、 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 tert-butyl 4-(1-aminopropyl)-2-hydroxybenzoate
  参考文献：
  名称：

  Development of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as orally active human chymase inhibitors

  摘要：

  A novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones was designed, synthesized, and evaluated as human chymase inhibitors. From this series, we identified several compounds which were effective, via oral administration, in a mouse model of chronic dermatitis. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.085
• 作为产物：
  描述：

  在 potassium tert-butylate 、 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 tert-butyl 2-(benzyloxy)-4-propionylbenzoate
  参考文献：
  名称：

  Development of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as orally active human chymase inhibitors

  摘要：

  A novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones was designed, synthesized, and evaluated as human chymase inhibitors. From this series, we identified several compounds which were effective, via oral administration, in a mouse model of chronic dermatitis. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.085

文献信息

• SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR
  申请人：Muto Tsuyoshi

  公开号：US20120259111A1

  公开（公告）日：2012-10-11

  A compound having a 7-membered nitrogen-containing ring skeleton represented by the formula (I), which is useful for the prevention or treatment of diseases, in which chymase is involved and a pharmaceutical containing the same for the prevention or treatment of a disease, in which chymase is involved.

  一种具有由式(I)表示的含氮七元环骨架的化合物，对涉及chymase的疾病的预防或治疗有用，以及含有该化合物的药物，用于预防或治疗涉及chymase的疾病。
• US8846660B2
  申请人：——

  公开号：US8846660B2

  公开（公告）日：2014-09-30