4,5,6,7-六氢-苯并[d]异噁唑-3-羧酸乙酯 | 1013-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5,6,7-六氢-苯并[d]异噁唑-3-羧酸乙酯
• 英文名称: ethyl 4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate
• 英文别名: Ethyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
• CAS: 1013-14-5
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD08701222
• 分子量: 195.218
• InChiKey: IBKOUOQPDXANCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4,5,6,7-六氢-苯并[d]异噁唑-3-羧酸乙酯 、 甲胺 以 乙醇 、 水 为溶剂， 反应 173.0h， 以89%的产率得到4,5,6,7-tetrahydrobenzo[d]isoxazole-3-(N-methyl)carboxamide
  参考文献：
  名称：

  Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles

  摘要：

  A series of new 3-(aminomethyl)pyrazoles and 3-(aminomethyl)isoxazoles was synthesized along a route involving the formation as key intermediates of esters of 5-substituted 1H-pyrazole-3-carboxylic and 1H-isoxazole-3-carboxylic acids. All compounds obtained were characterized by physicochemical constants, IR, (1)H, (13)C NMR, and mass spectra.

  DOI：

  10.1134/s1070428011080136
• 作为产物：
  描述：

  2-氧代环己烷乙醛酸乙酯 在 羟胺 作用下， 生成 4,5,6,7-六氢-苯并[d]异噁唑-3-羧酸乙酯
  参考文献：
  名称：

  Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans

  摘要：

  目前的技术是针对核受体活性调节剂，具体是针对NR2F6活性的调节和利用NR2F6化合物的调节，以及通过将本文描述的化合物用于人体来进行免疫调节和调节癌症干细胞活性。

  公开号：

  US20180214413A1

文献信息

• Substituted Spiroamide Compounds
  申请人：Schunk Stefan

  公开号：US20100234340A1

  公开（公告）日：2010-09-16

  Substituted spiroamide compounds corresponding to formula (I): wherein A, B, Q 1 , Q 2 , Q 3 , Q 4 , R 1 , R 8 , R 9a , R 9b , R 12 , R 13 , R 200 and R 210 have defined meanings, processes for their preparation, pharmaceutical compositions containing such compounds, and the use of such compounds for treating or inhibiting pain or other conditions mediated at least in part by the bradykinin 1 receptor (B1R).

  对应于以下式（I）的替代螺内酰胺化合物：其中A、B、Q1、Q2、Q3、Q4、R1、R8、R9a、R9b、R12、R13、R200和R210具有定义的含义，其制备方法，包含这种化合物的药物组合物，以及利用这种化合物治疗或抑制由部分介导的疼痛或其他情况的使用布雷金肽1受体（B1R）。
• Three-Component Coupling Approach to Trachyspic Acid
  作者：Daniel C. Schmitt、Leighann Lam、Jeffrey S. Johnson

  DOI：10.1021/ol202002r

  日期：2011.10.7

  Three-component coupling of the lithium enolate of t-BuOAc, silyl glyoxylate, and an alpha,beta-unsaturated ketone enables the rapid construction of the trachyspic acid carbon skeleton. A 3,4-disubstituted isoxazole is utilized to mask the C7/C9 dicarbonyl. New enolsilane/nitrile-oxide cycloadditions enable the preparation of various 3,4-disubstituted isoxazoles that are challenging to access by other means.
• US8357717B2
  申请人：——

  公开号：US8357717B2

  公开（公告）日：2013-01-22
• Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans
  申请人：Regen BioPharma, Inc.

  公开号：US20180214413A1

  公开（公告）日：2018-08-02

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein to humans.

  目前的技术是针对核受体活性调节剂，具体是针对NR2F6活性的调节和利用NR2F6化合物的调节，以及通过将本文描述的化合物用于人体来进行免疫调节和调节癌症干细胞活性。
• Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles
  作者：D. M. Musatov、E. V. Starodubtseva、A. K. Rakishev、O. V. Turova、M. G. Vinogradov

  DOI：10.1134/s1070428011080136

  日期：2011.8

  A series of new 3-(aminomethyl)pyrazoles and 3-(aminomethyl)isoxazoles was synthesized along a route involving the formation as key intermediates of esters of 5-substituted 1H-pyrazole-3-carboxylic and 1H-isoxazole-3-carboxylic acids. All compounds obtained were characterized by physicochemical constants, IR, (1)H, (13)C NMR, and mass spectra.