Acetic acid 4-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester

• 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: Acetic acid 4-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester
• 英文别名: 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate；[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
• 化学式: C₁₆H₁₁NO₄
• 分子量: 281.268
• InChiKey: FNVDONIOVIBHMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Acetic acid 4-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester 、 2-苯乙胺 以yielding 0.56 g (80%) of (20) as colorless crystals的产率得到2-(4-hydroxy-phenyl)-3-phenethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  Quinazolinone compounds as calcilytics

  摘要：

  本文揭示了各种钙离子受体抑制剂化合物及含有这些化合物的制药组合物。钙离子受体抑制剂化合物是一种能够抑制钙离子受体活性的化合物。本文还揭示了可用于获得钙离子受体抑制剂化合物的技术以及将钙离子受体抑制剂化合物用作钙离子受体拮抗剂的用途。

  公开号：

  US20060052345A1
• 作为产物：
  描述：

  在 1,1,3,3-四甲基二硅氧烷 、 copper(II) bis(trifluoromethanesulfonate) 、 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以85%的产率得到Acetic acid 4-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester
  参考文献：
  名称：

  酸酐的催化氮杂-Wittig反应合成4 H-苯并[ d ] [1,3]恶嗪-4-酮和4-苄叉基-2-芳基恶唑-5（4 H）-酮

  摘要：

  与醛，酮，酰胺和酯的aza-Wittig反应相比，酸酐的aza-Wittig反应总是被忽略，这应该是Wittig反应的重要组成部分。在这里，酸酐的aza-Wittig反应和酸酐的aza-Wittig催化反应均以高收率开发，这为合成4 H-苯并[ d ] [1,3]恶嗪-4-酮和4-亚苄基-2-芳基恶唑-5（4 H）-那些。使用了铜催化的氧化膦还原的策略，发现该策略对这种转化有效。另外，实现了羧酸的一锅催化的氮杂-维蒂希反应。此外，NMR实验和Hammett曲线记录了酸酐的催化氮杂-维蒂希反应过程，这直接证明了铜催化的废氧化膦的还原是该转化过程中的关键步骤。

  DOI：

  10.1021/acscatal.6b00165

文献信息

• 3H-Quinazolin-4-ones as a new calcilytic template for the potential treatment of osteoporosis
  作者：Irina Shcherbakova、Manuel F. Balandrin、John Fox、Anjan Ghatak、William L. Heaton、Rebecca L. Conklin

  DOI：10.1016/j.bmcl.2005.01.078

  日期：2005.3

  Structure-activity relationship studies, focused on identification of the active pharmacophore fragments in a single high-throughput screening calcilytic bit, resulted in the discovery of potent calcium receptor antagonists, substituted 3H-quinazolin-4-ones. (c) 2005 Elsevier Ltd. All rights reserved.
• USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER
  申请人：Arexis AB

  公开号：EP1631295A2

  公开（公告）日：2006-03-08
• Use of heterocyclic compounds as scce inhibitors
  申请人：Linschoten Marcel

  公开号：US20060258651A1

  公开（公告）日：2006-11-16

  The present invention relates to heterocyclic inhibitors of stratum corneum chymotryptic enzyme (SCCE). More particularly, the invention relates to the use of compounds with the formula (I) or (II) for treatment of certain diseases, in particular skin diseases such as pruirtus, as well as cancer such as ovarian cancer.
• RETARDATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY
  申请人：KONICA MINOLTA, INC.

  公开号：US20150323703A1

  公开（公告）日：2015-11-12

  To provide a retardation film that, while maintaining a high retardation value, has increased durability such as moist heat resistance and can prevent the occurrence of color unevenness even if made in a size having a large area. The retardation film contains a cellulose ester as the primary component, has a film thickness of 15 μm or more and less than 40 μm, has a film thickness variation both in the widthwise direction and lengthwise direction of 0 to 4 μm, and satisfies an Rt humidity fluctuation represented by the formula (1) described below of 1% to 12%. Formula (1): Rt humidity fluctuation=(ΔRt value, a difference of retardation Rt(590) values in the thickness direction represented by the following formula (ii) measured at a wavelength of 590 nm after the film has been left to stand for 5 hours in each of a 23° C., 20% relative humidity environment and a 23° C., 80% relative humidity environment)/(Rt(590) value measured after the film has been left to stand for 5 hours in a 23° C., 55% relative humidity environment)×100. Formula (ii): Rt(590)=(n x +n y )/ 2 −n z }×d (wherein n x represents a refractive index in the slow axis direction in the film plane, n y represents a refractive index in the direction perpendicular to the slow axis in the film plane, n z represents a refractive index in the thickness direction of the film, and d represents a film thickness (nm), respectively).
• US7872052B2
  申请人：——

  公开号：US7872052B2

  公开（公告）日：2011-01-18