[hydroxy(p-nitrobenezenesulfonyloxy)iodo]benzene | 61477-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [hydroxy(p-nitrobenezenesulfonyloxy)iodo]benzene
• 英文别名: [hydroxy(p-nitrobenzenesulfonyloxy)iodo]benzene；[hydroxy(p-nitroenzenesulfonyloxy)iodo]benzene；HNIB；[Hydroxy (p-nitrobenzenesulfonyloxy]iodo]benzene；[hydroxy(phenyl)-λ3-iodanyl] 4-nitrobenzenesulfonate
• CAS: 61477-33-6
• 化学式: C₁₂H₁₀INO₆S
• 分子量: 423.185
• InChiKey: NSVNZCQNQVFHHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4'-氟苯丙酮 、 [hydroxy(p-nitrobenezenesulfonyloxy)iodo]benzene 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  An Effective Synthesis of α-Azido Ketones From Ketones

  摘要：

  One-pot transformation of ketones into alpha -azido ketones has been achieved by successive treatment with HNIB and NaN3 in acetonitrile.

  DOI：

  10.1080/00397910008087049
• 作为试剂：
  描述：

  4-庚酮 在 [hydroxy(p-nitrobenezenesulfonyloxy)iodo]benzene 、 吡啶-N-氧化物 作用下， 反应 0.04h， 以45%的产率得到庚烷-3,4-二酮
  参考文献：
  名称：

  Rapid microwave-promoted solvent-free oxidation of α-methylene ketones to α-diketones

  摘要：

  A convenient and rapid method for the oxidation of alpha-methylene ketones to alpha-diketones has been described involving the reaction of pyridine N-oxide with alpha-nosyloxy ketone intermediates. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01130-9

文献信息

• A Facile Synthesis of Secondary α-Alkoxy or α-Acetoxy Aromatic Ketones
  作者：Jong Chan Lee、Taiyoung Hong

  DOI：10.1080/00397919708005455

  日期：1997.12

  Abstract: The treatment of HNIB with aromatic ketones and subsequent solvolysis using alcohol or acetic acid in one-pot system makes it possible to give corresponding secondary α-alkoxy or α-acetoxy ketones in high yields.

  摘要： 用芳香酮处理 HNIB 并随后在一锅系统中使用醇或乙酸进行溶剂分解可以高产率地得到相应的仲 α-烷氧基或 α-乙酰氧基酮。
• Hypervalent Iodine(III)-Mediated Tosyloxylation of 4-Hydroxycoumarins
  作者：Bowen Xu、Yiping Gao、Jianwei Han、Zejing Xing、Sihan Zhao、Ziyang Zhang、Runlin Ren、Limin Wang

  DOI：10.1021/acs.joc.9b01323

  日期：2019.8.16

  An efficient approach was developed for synthesis of 3-tosyloxy-4-hydroxycoumarins under mild conditions by using Koser’s reagents. The reaction tolerated various functional groups, and the products served as useful aromatic building blocks. Additionally, a plausible mechanism via iodonium ylide was proposed, and the oral anticoagulant Warfarin was synthesized in good yield.

  开发了一种有效的方法，通过使用Koser试剂在温和条件下合成3-tosyloxy-4-hydroxycoumarins。该反应容许各种官能团，并且产物用作有用的芳族结构单元。另外，提出了通过碘鎓叶立德的合理机制，并且以高收率合成了口服抗凝剂华法林。
• Palladium-Catalyzed C–H Bond Functionalization Reactions Using Phosphate/Sulfonate Hypervalent Iodine Reagents
  作者：Yimiao He、Lilan Huang、Limei Xie、Peng Liu、Qiongmei Wei、Fangfang Mao、Xuehong Zhang、Jun Huang、Sijing Chen、Chusheng Huang

  DOI：10.1021/acs.joc.9b01278

  日期：2019.8.16

  simple approach for palladium-catalyzed C–H functionalization reactions utilizing an organophosphorus/sulfonate hypervalent iodine reagent as both an oxidant and the source of a functional group has been developed. Through this method, the oxidative phosphorylation-, sulfonation-, and hydroxylation of unactivated benzyl C(sp3)–H bonds, along with the hydroxylation and arylation of aryl C(sp2)–H bonds,

  开发了一种新的且操作简单的方法，该方法利用有机磷/磺酸盐高价碘试剂作为氧化剂和官能团的来源，对钯催化的CH官能化反应进行了开发。通过这种方法，在温和的条件下成功地实现了未活化的苄基C（sp 3）-H键的氧化磷酸化，磺化和羟基化，以及芳基C（sp 2）-H键的羟基化和芳基化。具有出色的站点选择性。通用的C–OSO 2 R键为随后的多样化反应提供了平台。
• Dairyl-substituted five-membered heterocycle derivative
  申请人：Hirata Yukari

  公开号：US20070173507A1

  公开（公告）日：2007-07-26

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由公式（I）所表示的化合物：（I）或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表公式（II-1）：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环代表苯基等，具有mGluR1抑制作用，适用于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性脑缺血发作、精神疾病如精神分裂症、焦虑、药物依赖、帕金森病或胃肠道疾病。
• DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE
  申请人：Hirata Yukari

  公开号：US20110160208A1

  公开（公告）日：2011-06-30

  The present invention provides the compounds represented by formula (I): or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being useful for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了以下式子(I)所代表的化合物或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表式子(II-1)：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，环A代表苯基等，具有mGluR1抑制作用，并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病有用。