苯乙醇-D4 | 107473-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯乙醇-D4
• 英文名称: 2-phenylethanol
• 英文别名: 1.1.2.2-Tetradeutero-2-phenylethylalkohol；1,1,2,2-tetradeuterio-2-phenyl-ethanol；2-phenylethanol-1,1,2,2-d4；2-Phenylethan-1,1,2,2-D4-OL；1,1,2,2-tetradeuterio-2-phenylethanol
• CAS: 107473-33-6
• 化学式: C₈H₁₀O
• 分子量: 126.135
• InChiKey: WRMNZCZEMHIOCP-KXGHAPEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  苯乙醇-D4 在 lithium aluminium tetrahydride 、 氢气 作用下， 生成 <1,1,2,2-D4>-1,2-dihydronaphthalene
  参考文献：
  名称：

  Gessner, Uwe; Heesing, Albert, Chemische Berichte, 1985, vol. 118, # 7, p. 2593 - 2606

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲醇-Alpha,Alpha-d2 在 氯化亚砜 、 lithium aluminium deuteride 、 magnesium 作用下， 生成 苯乙醇-D4
  参考文献：
  名称：

  Gessner, Uwe; Heesing, Albert, Chemische Berichte, 1985, vol. 118, # 7, p. 2593 - 2606

  摘要：

  DOI：

文献信息

• Regioselective deuteration of alcohols in D₂O catalysed by homogeneous manganese and iron pincer complexes
  作者：Sayan Kar、Alain Goeppert、Raktim Sen、Jotheeswari Kothandaraman、G. K. Surya Prakash

  DOI：10.1039/c8gc01052h

  日期：——

  We report a convenient and cost-effective protocol for the regioselective deuteration of primary and secondary alcohols using Earth abundant homogeneous first row transition metal pincer catalysts. D2O is utilized as both a deuterium source and a solvent, allowing for a benign inexpensive process. Depending on the metal selected (Mn or Fe), a high degree of deuterium incorporation was observed selectively

  我们报告了一种方便和具有成本效益的协议，用于使用地球丰富的均质的第一行过渡金属钳催化剂催化伯醇和仲醇的区域选择性氘化。D 2 O既用作氘源又用作溶剂，从而实现了良性廉价的工艺。取决于所选择的金属（Mn或Fe），对于伯醇，选择性地在α和β位置（Mn）或仅在α位置（Fe）观察到高度的氘掺入。这种简单，有效且具有成本效益的醇C–H键氘代的方案是大规模合成氘代分子的有力工具。
• SUBSTITUTED 4-AMINO-PIPERIDINES
  申请人：Gant Thomas G.

  公开号：US20100016365A1

  公开（公告）日：2010-01-21

  The present invention relates to new substituted 4-amino-piperidine opioid receptor modulators, pharmaceutical compositions thereof, and methods of use thereof.

  本发明涉及新的取代4-氨基哌啶类阿片受体调节剂，其药物组成物以及使用方法。
• Ruthenium-Catalyzed Deuteration of Alcohols with Deuterium Oxide
  作者：Wei Bai、Ka-Ho Lee、Sunny Kai San Tse、Ka Wing Chan、Zhenyang Lin、Guochen Jia

  DOI：10.1021/acs.organomet.5b00134

  日期：2015.8.10

  The catalytic properties of a series of ruthenium complexes for H/D exchange between D2O and alcohols were studied. The catalytic activity of the ruthenium complexes and the regioselectivity of the H/D exchange reactions were found to be dependent on the auxiliary ligands. While ruthenium eta(6)-cymene complexes such as cymene)RuCl(NH2CH2CH2NTs)]Cl, (eta(6)-cymene)RuCl2/ NH2CH2CH2OH, and (eta(6)-cymene)Ru(S,S)-NHCHPhCHPhNTs} catalyzed regioselective deuteration of alcohols with D2O at the beta-carbon positions only, octahedral ruthenium complexes such as RuCl2(2-NH2CH2Py)(PPh3)(2) (2-NH2CH2Py = 2-aminomethylpyridine) and RuCl2(NH2CH2CH2NH2)(PPh3)(2) catalyzed regioselective H/D exchange reactions of D2O with alcohols at both the alpha- and beta-carbon positions of alcohols. The H/D exchange reactions proceed through reversible dehydrogenation of alcohols and hydrogenation of carbonyl compounds involving hydride species and H/D exchange among D2O and carbonyl and hydride species. The different regioselectivities of the H/D exchange reactions can be related to the relative ease of H/D exchange of ruthenium hydride intermediates with D2O.
• DEUTERATED FINGOLIMOD
  申请人：CONCERT PHARMACEUTICALS, INC.

  公开号：EP2217561A2

  公开（公告）日：2010-08-18
• Deuterated fingolimod
  申请人：Liu Julie F.

  公开号：US20090176744A1

  公开（公告）日：2009-07-09

  This invention relates to novel compounds that are deuterated derivatives of fingolimod and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising one or more compounds of this invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are beneficially treated by administering a lysophospholipid edg1 (S1P1) receptor agonist, such as fingolimod.