2-oxo-2H-chromen-4-yl 2,4,6-triisopropylbenzenesulfonate | 676515-70-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-oxo-2H-chromen-4-yl 2,4,6-triisopropylbenzenesulfonate
• 英文别名: (2-Oxochromen-4-yl) 2,4,6-tri(propan-2-yl)benzenesulfonate
• CAS: 676515-70-1
• 化学式: C₂₄H₂₈O₅S
• 分子量: 428.549
• InChiKey: VBNQMGZCDKZARA-UHFFFAOYSA-N

物化性质

• 沸点：
  548.1±50.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吗啉 、 2-oxo-2H-chromen-4-yl 2,4,6-triisopropylbenzenesulfonate 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 4-morpholino-2H-chromen-2-one
  参考文献：
  名称：

  Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors

  摘要：

  Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.102
• 作为产物：
  描述：

  2,4,6-三异丙基苯磺酰氯 、 4-羟基香豆素 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 2-oxo-2H-chromen-4-yl 2,4,6-triisopropylbenzenesulfonate
  参考文献：
  名称：

  Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors

  摘要：

  Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.102

文献信息

• Transition metal- and oxidant-free sulfonylation of 1-sulfonyl-1<i>H</i>-1,2,3-triazoles to enols for the synthesis of sulfonate derivatives
  作者：Xinwei He、Yuhao Wu、Youpeng Zuo、Mengqing Xie、Ruxue Li、Yongjia Shang

  DOI：10.1080/00397911.2019.1582065

  日期：2019.4.3

  Abstract A novel and convenient protocol for the synthesis of sulfonate derivatives via DABCO-catalyzed direct sulfonylation of 1-sulfonyl-1,2,3-triazoles to different enols has been established. This synthetic route could effectively avoid the use of transition metal catalysts and extra oxidants, and the target products could be obtained in good to excellent yields (75-86%) with wide substrate scope

  摘要 建立了一种通过 DABCO 催化的 1-磺酰基-1,2,3-三唑直接磺酰化为不同烯醇合成磺酸盐衍生物的新型便捷方案。该合成路线可以有效地避免使用过渡金属催化剂和额外的氧化剂，在温和条件下，低催化剂负载量下可以以良好到优异的收率（75-86％）获得目标产物，具有广泛的底物范围，这将提供轻松实用地获得烯醇磺酸盐。此外，通过 Suzuki-Miyaura、Sonogashira 和 Heck 交叉偶联反应证明了使用所得烯醇磺酸盐形成 CC 键。图形概要
• Near Infrared Ray Activation Type Positive Resin Composition
  申请人：Imai Genji

  公开号：US20070259279A1

  公开（公告）日：2007-11-08

  A near infrared ray activation type positive resist composition comprising (A) a vinyl-based polymer having a monomer unit having an alkali-soluble group blocked by an ether having an alkenyl group next to an ether oxygen, (B) a photothermal converting substance generating heat by a light in the near infrared region, (C) a thermal acid generator generating an acid by heat, can provide a near infrared ray activation type positive resist composition which can be subjected to an exposure treatment in a complete bright room such as under a white light and the like, gives desired sensitivity and resolution, and of which baking treatment conditions can be relaxed or a baking treatment can be omitted, and a pattern formation method using the same.
• Positive resist composition for recording medium master, and method of producing recording medium master and method of producing stamper using the same
  申请人：Imai Genji

  公开号：US20090045552A1

  公开（公告）日：2009-02-19

  Provided are a positive resist composition for recording medium master showing excellent plating resistance and adhesion to a base plate such as glass or the like characterized by containing a vinyl polymer which has a monomer unit having an alkali-soluble group blocked by an alkyl vinyl ether, and a method of producing a recording medium master or stamper using this positive resist composition.
• US7544461B2
  申请人：——

  公开号：US7544461B2

  公开（公告）日：2009-06-09
• Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors
  作者：Sara L. Payne、Sonsoles Rodriguez-Aristegui、Julia Bardos、Céline Cano、Bernard T. Golding、Ian R. Hardcastle、Marcus Peacock、Nahida Parveen、Roger J. Griffin

  DOI：10.1016/j.bmcl.2010.04.102

  日期：2010.6

  Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone. (C) 2010 Elsevier Ltd. All rights reserved.