2-甲基吡啶-d7 | 93951-93-0

• 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
• 中文名称: 2-甲基吡啶-d7
• 中文别名: 2-皮考林-d7；2-甲基吡啶-D7
• 英文名称: 2-methylpyridine-d₇
• 英文别名: [D₇]2-methylpyridine；2-picoline-d7；2,3,4,5-tetradeuterio-6-(trideuteriomethyl)pyridine
• CAS: 93951-93-0
• 化学式: C₆H₇N
• 分子量: 100.073
• InChiKey: BSKHPKMHTQYZBB-AAYPNNLASA-N

物化性质

• 密度：
  1.026 g/mL at 25 °C(lit.)
• 闪点：
  79 °F
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：

  避免接触强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36
• 危险类别码：
  R20/21/22,R10,R36/37
• 危险品运输编号：
  UN 2313 3/PG 3

反应信息

• 作为反应物：
  描述：

  2-甲基吡啶-d7 、 环己基丙二醇 在 (C₅Me₄SiMe₃)Sc(CH₂C₆H₄NMe₂-o)₂ 、 三苯碳四(五氟苯基)硼酸盐 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  催化C ？稀土催化剂使吡啶与丙二烯发生H键加成反应

  摘要：

  催化Ç 小时加入吡啶以丙二烯已经通过使用一个半夹心钪催化剂，因此构成为链烯基吡啶衍生物的合成和直截了当原子的经济的路线来实现首次。该反应在区域和立体选择性上进行，提供了新的烯基化吡啶化合物家族，否则很难合成。阳离子钪-η 2 -吡啶基物种分离并确认在该转化的关键催化剂物种。

  DOI：

  10.1002/chem.201501121

文献信息

• Influence of [²H]-labelled acetic acid as solvent in the synthesis of [²H]-labelled perhexiline
  作者：Søren Christian Schou

  DOI：10.1002/jlcr.1696

  日期：——

  Preparation of deuterium-labelled perhexiline from an unsaturated analogue was performed via reduction with deuterium gas and PtO2 in acetic acid. Low incorporation was observed when using acetic acid as solvent (most abundant mass peak was M), but when changing the solvent to deuterium-labelled acetic acid, e.g. acetic acid-OD or acetic acid-d4, a higher incorporation was observed (most abundant mass peak was M). Using hydrogen gas instead of deuterium gas with deuterium-labelled acetic acid, high levels of deuterium incorporation were observed (most abundant mass peak was M). An attempt to reduce a precursor with a fully deuterated pyridine to obtain perhexiline with a higher content of deuterium failed. Copyright © 2009 John Wiley & Sons, Ltd.

  通过在乙酸中使用氘气和二氧化铂进行还原，从不饱和类似物中制备出了氘标记的过苯胺。当使用乙酸作为溶剂时，观察到的掺入量较低（最丰富的质量峰为 M），但当将溶剂改为氘标记的乙酸时，如乙酸-OD 或乙酸-d4，观察到的掺入量较高（最丰富的质量峰为 M）。用氢气代替氘气与氘标记的醋酸混合，观察到了高水平的氘掺入（最丰富的质量峰为 M）。试图用完全氚化的吡啶还原前体以获得氘含量更高的过六次甲基苯胺的实验失败了。Copyright © 2009 John Wiley & Sons, Ltd. All Rights Reserved.
• Iridium(III)-Induced Isomerization of 2-Substituted Pyridines to N-Heterocyclic Carbenes
  作者：Eleuterio Alvarez、Salvador Conejero、Margarita Paneque、Ana Petronilho、Manuel L. Poveda、Oracio Serrano、Ernesto Carmona

  DOI：10.1021/ja0646592

  日期：2006.10.1

  Steric strains (F-strain or front-strain) in the acid-base interaction between the Lewis acid [TpMe2Ir(C6H5)2] and 2-substituted pyridines Lewis bases, are responsible for the stabilization of the C-adducts (2) of the respective pyridine carbene tautomers over the expected N-adducts.
• Fish, Richard H.; Kim, Hoon-Sik; Fong, Raymond H., Organometallics, 1991, vol. 10, # 3, p. 770 - 777
  作者：Fish, Richard H.、Kim, Hoon-Sik、Fong, Raymond H.

  DOI：——

  日期：——
• NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand
  作者：Miguel A. Esteruelas、Francisco J. Fernández-Alvarez、Montserrat Oliván、Enrique Oñate

  DOI：10.1021/om8011954

  日期：2009.4.13

  The reactions of the iridium complexes IrHCl2((PPr3)-Pr-i)(2) (1) and IrCl(eta(2)-C8H14)((PPr3)-Pr-i)(2) (2) with quinoline, 8-methylquinoline, 2-methylpyridine and benzo[h]quinoline (Hbq) have been studied. Complex 1 promotes the NH-tautomerization of quinoline and 8-methylquinoline and stabilizes the resulting NH-tautomers to afford IrHCl2kappa-C-(HNC9H6)}((PPr3)-Pr-i)(2) (3) and IrHCl2kappa-C-(HNC9H5CH3)}((PPr3)-Pr-i)(2) (4), while the respective reactions of 2 lead toIrHCH2CH(CH3)(PPr2)-Pr-i}Clkappa-N-(NC9H7)}((PPr3)-Pr-i) (5) and IrHCl(CH2C9H6N)((PPr3)-Pr-i)(2) (6). Complex 1 also tautomerizes 2-methylpyridine and stabilizes the resulting tautomer to give IrHCl2 kappa-C-(HNC5H3CH3)} ((PPr3)-Pr-i)(2) (7). However, in the presence of 2, the tautomerization does not occur. Treatment of 2 with 2-methylpyridine leads to a mixture of unidentified nontautomer derivatives. The products from the reactions of I with benzo[h]quinoline depend upon the metal/heterocycle ratios used. Treatment of 1 with 1.2 equiv of benzo[h]quinoline leads to the NH-tautomer derivative IrHCl2kappa-C-(HNbq))((PPr3)-Pr-i)(2) (8; 15%) and the metalated species IrHClkappa-N,C-(bq))((PPr3)-Pr-i)(2) (9; 85%). However, when a 1:3 molar ratio is used, 9 (60%) and the salt [HNHbq][IrHCl3((PPr3)-Pr-i)(2)] (10, 40%; HNHbq = benzo[h]quinolinium) are formed. Complexes 4, 5, 6, 7, 9, and 10 have been characterized by X-ray diffraction analysis. The mechanism of the NH-tautomeration is also reported.
• DEUTERIUM-ENRICHED AXITINIB
  申请人：Czarnik Anthony W.

  公开号：US20090062347A1

  公开（公告）日：2009-03-05

  The present application describes deuterium-enriched axitinib, pharmaceutically acceptable salt forms thereof, and methods of treating using the same.