α-(4-pyridyl-1-oxide)-N-tert-butyl-nitrone | 66893-81-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: α-(4-pyridyl-1-oxide)-N-tert-butyl-nitrone
• 英文别名: alpha-(4-Pyridyl-1-oxide)-N-tert-butylnitrone；N-tert-butyl-1-(1-oxidopyridin-1-ium-4-yl)methanimine oxide
• CAS: 66893-81-0
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: RNRMWTCECDHNQU-WQLSENKSSA-N

物化性质

• 熔点：
  183-185 °C(lit.)
• 沸点：
  330.68°C (rough estimate)
• 密度：
  1.1444 (rough estimate)
• 溶解度：
  水中的溶解度：10mg/mL，澄清，无色至淡黄色

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 安全说明：
  S22,S24/25
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  α-(4-pyridyl-1-oxide)-N-tert-butyl-nitrone 以 水 为溶剂， 反应 0.05h， 生成
  参考文献：
  名称：

  超声波对水溶液的化学作用。形成羟基自由基和氢原子

  摘要：

  DOI：

  10.1021/j100231a020
• 作为产物：
  描述：

  4-吡啶醛 N-氧化物 、 N-叔丁基羟胺盐酸盐 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 α-(4-pyridyl-1-oxide)-N-tert-butyl-nitrone
  参考文献：
  名称：

  摘要：

  The spin-spin coupling constants (3)J(C,H) between the hydrogen atom of the aldonitrone group and the carbon atom bound to the nitrogen atom of the N-oxide fragment were determined for a wide range of cyclic and acyclic aldonitrones. Based on comparison of these constants (trans-(3)J(C,H) (E isomer) > cis-(3)J(C,H) (Z isomer)), the Z configuration was assigned to acyclic nitrones. Coordination of organolithium compounds to the oxygen atom of the N-->O group was revealed by C-13 NMR spectroscopy. This coordination is the necessary condition for the metallation of aldonitrones. The configuration of the nitrone group is responsible for the ability of the E form of acyclic aldonitrones to undergo CD3ONa-catalyzed isotope exchange of the methine proton in CD3OD and metallation with (BuLi)-Li-s.

  DOI：

  10.1023/a:1015459811377

文献信息

• 5-Carboxy-5-methyl-1-pyrroline N-oxide: a spin trap for the hydroxyl radical
  作者：Pei Tsai、Martyna Elas†、Adrian D. Parasca、Eugene D. Barth、Colin Mailer、Howard J. Halpern、Gerald M. Rosen

  DOI：10.1039/b101945g

  日期：——

  The in vivo in situ detection of hydroxyl radical (HO˙) in real time has been one of the great challenges of free radicals in biology. While we have been able to identify this free radical as a secondary biomarker of HO˙, the discovery that 5-carboxy-5-methyl-1-pyrroline N-oxide 2 can specifically spin trap HO˙ at the expense of superoxide (O2˙−) opens new avenues of research. In particular, nitrone 2 will allow us to detect HO˙ from low doses of radiation in animal tumors in real time.

  实时体内原位检测羟基自由基（HO˙）一直是生物学中自由基研究的一大挑战。虽然我们已经能够将这种自由基识别为HO˙的第二标志物，但发现5-羧基-5-甲基-1-吡咯啉N-氧化物2能够特异性地捕捉HO˙而牺牲超氧阴离子（O2˙−），为研究开辟了新的途径。特别是，硝酮2将使我们能够实时检测来自低剂量辐射的动物肿瘤中的HO˙。
• High static pressure alters spin trapping rates in solution. Dependence on the structure of nitrone spin traps
  作者：Yoshimi Sueishi、Daisuke Yoshioka、Chiharu Yoshioka、Shunzo Yamamoto、Yashige Kotake

  DOI：10.1039/b515682c

  日期：——

  Using a competitive spin trapping method, relative spin trapping rates were quantified for various short-lived radicals (methyl, ethyl, and phenyl radicals). High static pressure was applied to the competitive spin-trapping system by employing high-pressure electron spin resonance (ESR) equipment. Under high pressure (490 bar), spin trapping rate constants for alkyl and phenyl radicals increased by

  使用竞争性自旋俘获方法，对各种短寿命自由基（甲基，乙基和苯基）的相对自旋俘获速率进行了定量。通过使用高压电子自旋共振（ESR）设备，将高静压应用于竞争性自旋捕集系统。在高压（490 bar）下，烷基和苯基自由基的自旋俘获速率常数增加了10％至40％，并且该增加取决于硝酮自旋阱的结构。当叔丁基（4-吡啶基亚甲基）胺N-氧化物（4-POBN）用作自旋阱时，可获得最大的增加。对于四个POBN系统，两个自旋捕获反应的激活体积（DeltaDeltaV（双匕首））计算为-17-（-9）cm（3）mol（-1）。
• Strain-Release Driven Cycloadditions for Rapid Construction of Functionalized Pyridines and Amino Alcohols
  作者：Sebastian Clementson、Alessio Radaelli、Kasper Fjelbye、David Tanner、Mikkel Jessing

  DOI：10.1021/acs.orglett.9b01652

  日期：2019.6.21

  describes the development of a new variant of stereoselective strain-release driven reactions (formal homo [3 + 2] dipolar cycloadditions) which utilize housane (1) to construct functionalized amino alcohols and pyridine-substituted cyclopentanes in two to three steps from simple and easily available building blocks (nitrones and pyridine N-oxides respectively).

  本文介绍了立体选择性应变释放驱动反应的新变体（正式的同型[3 + 2]偶极环加成反应）的开发过程，该反应利用husane（1）从简单的两步到三步即可构建官能化的氨基醇和吡啶取代的环戊烷和容易获得的构件（分别是硝酮和吡啶N-氧化物）。
• METHOD FOR PREVENTION OF PREMATURE POLYMERIZATION
  申请人：Nitto Europe N.V.

  公开号：US20160280673A1

  公开（公告）日：2016-09-29

  The present invention relates to a method for prevention of premature polymerization during the preparation, purification, transportation and storage of a polymerizable compound with at least one conjugated unsaturated group in the presence of an azine dye-based compound as inhibitor. Further the present invention relates to methods of preparing such inhibitors as well as to the inhibitors itself, as well as to methods of improving solubility and stability of dissolved inhibitors.

  本发明涉及一种在具有至少一个共轭不饱和基团的聚合物化合物的制备、纯化、运输和储存过程中预防聚合物过早聚合的方法，其中存在一种以偶氮染料为基础的化合物作为抑制剂。此外，本发明还涉及制备此类抑制剂的方法，以及抑制剂本身，以及改善溶解的抑制剂的溶解性和稳定性的方法。
• Methods for sterilizing tissue
  申请人：——

  公开号：US20030185702A1

  公开（公告）日：2003-10-02

  Methods are disclosed for sterilizing tissue to reduce the level of one or more active biological contaminants or pathogens therein, such as viruses, bacteria, (including inter- and intracellular bacteria, such as mycoplasmas, ureaplasmas, nanobacteria, chlamydia, rickettsias), yeasts, molds, fungi, prions or similar agents responsible, alone or in combination, for TSEs and/or single or multicellular parasites. The methods involve sterilizing one or more tissues with irradiation.

  本发明公开了用于灭菌组织以减少其中一个或多个活性生物污染物或病原体的水平的方法，例如病毒、细菌（包括细胞内和细胞外细菌，如支原体、尿道支原体、纳米细菌、沙眼衣原体、立克次体）、酵母菌、霉菌、真菌、朊病毒或类似的单独或组合的致病体，以及单细胞或多细胞寄生虫。该方法涉及通过辐照灭菌一个或多个组织。