C,C,O-三氘代甲醇 | 53952-43-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: C,C,O-三氘代甲醇
• 英文名称: CD2HOD
• 英文别名: d2-Methanol-O-D；Methanol-D3；Deuteriertes Methanol；C,C,O-trideuterio-methanol；Hydroxymethyl-d3 radical；dideuterio(deuteriooxy)methane
• CAS: 53952-43-5
• 化学式: CH₄O
• 分子量: 35.0183
• InChiKey: OKKJLVBELUTLKV-FUDHJZNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氘代甲醇-d 在 magnesium oxide 作用下， 330.0 ℃ 、101.32 kPa 条件下， 生成 C,O-二氘代甲醇 、 C,C,O-三氘代甲醇
  参考文献：
  名称：

  Ueda, Wataru; Kuwabara, Tetsuo; Kurokawa, Hideki, Chemistry Letters, 1990, # 2, p. 265 - 266

  摘要：

  DOI：

文献信息

• Decomposition of the antitumour drug temozolomide in deuteriated phosphate buffer: methyl group transfer is accompanied by deuterium exchange
  作者：Richard T. Wheelhouse、Malcolm F. G. Stevens

  DOI：10.1039/c39930001177

  日期：——

  The antitumour prodrug temozolomide 1 undergoes ring-opening in deuteriated phosphate buffer; deuterium incorporation into the methyl group transferred from the reactive species 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC)2has been monitored by observing D–H and P–H couplings in the NMR spectra of the products.

  抗肿瘤原药替莫唑胺 1 在脱盐磷酸盐缓冲液中发生开环反应；通过观察产物核磁共振光谱中的 D-H 和 P-H 偶联，监测了从反应物 5-(3-甲基三嗪-1-基)咪唑-4-甲酰胺 (MTIC)2 转移到甲基上的氘结合情况。
• The methyldiazonium ion in water: competition between hydrolysis and proton exchange
  作者：Richard H. Smith、Steven R. Koepke、Yves Tondeur、Cheryl L. Denlinger、Christopher J. Michejda

  DOI：10.1039/c39850000936

  日期：——

  The methyldiazonium ion, generated from four different precursors, was found to undergo proton exchange with deuteriated phosphate buffer solutions.

  发现由四种不同的前体生成的甲基重氮离子与氘化的磷酸盐缓冲液进行了质子交换。
• Decomposition of 1,3-dialkyltriazenes in aqueous buffers: kinetic and mechanistic studies
  作者：Richard H. Smith、Cheryl L. Denlinger、Robert. Kupper、Andrew F. Mehl、Christopher J. Michejda

  DOI：10.1021/ja00273a029

  日期：1986.6
• Aqueous phase hydrodeoxygenation of polyols over Pd/WO3-ZrO2: Role of Pd-WO3 interaction and hydrodeoxygenation pathway
  作者：Changjun Liu、Junming Sun、Heather M. Brown、Oscar G. Marin-Flores、J. Timothy Bays、Ayman M. Karim、Yong Wang

  DOI：10.1016/j.cattod.2015.10.034

  日期：2016.7

  Aqueous phase processing of biomass derived sugar alcohols is one of the promising routes to convert biomass into fuels and chemicals. Bifunctional catalysts are critical in the aqueous phase hydrodeoxygenation of sugar alcohol. Understanding the interaction between metal and acidic metal oxides as well as the hydrodeoxygenation pathways will help develop more efficient bifunctional catalysts. Here, tungstated zirconia supported palladium catalysts were prepared and further characterized using nitrogen sorption, X-ray diffraction, FT-IR analysis of adsorbed pyridine, CO chemisorption and diffuse reflectance UV-vis. Strong interaction between palladium and WO3 in addition to a synergetic effect of the acidic and metallic sites were found to promote the aqueous phase hydrodeoxygenation of ethylene glycol. H-D exchange experiments using C-13H-1} NMR spectroscopy confirmed that the aqueous phase hydrodeoxygenation follows a dehydration-hydrogenation pathway. The hydrogenation of the dehydration products shifts the dehydration-hydration equilibrium toward the dehydration pathway and leads to highly selective C-O cleavage. (C) 2015 Elsevier B.V. All rights reserved.