D₂O-Methanol-d₄ | 918887-25-9

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: D₂O-Methanol-d₄
• 英文别名: CD3OD D2O；deuterated water;trideuterio(deuteriooxy)methane
• CAS: 918887-25-9
• 化学式: CH₄O*H₂O
• 分子量: 56.0098
• InChiKey: GBMDVOWEEQVZKZ-JMLOAXHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  3
• 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：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  D₂O-Methanol-d₄ 、 [Os(C6H4C(O)CH3)(η2-H2)(H2O)(triisopropylphosphine)2]tetrafluoroborate 以 氘代甲醇 、 重水 为溶剂， 生成 [Os(C6H4C(O)CH3)(η2-HD)(D2O)(P(i)Pr3)2]BF4
  参考文献：
  名称：

  Reactions of an Osmium-Elongated Dihydrogen Complex with Terminal Alkynes:  Formation of Novel Bifunctional Compounds with Amphoteric Nature

  摘要：

  The trihydride complex OsH3{C6H4C(O)CH3}((PPr3)-Pr-i)(2) (1) reacts with (HBF4H2O)-H-. to give the elongated dihydrogen derivative [Os{C6H4C(O)CH3](eta(2)-H-2)(H2O)((PPr3)-Pr-i)(2)]BF4 (2), with a separation between the hydrogen atoms of the elongated dihydrogen of 1.35 Angstrom. The addition of acetone oxime to dichloromethane solutions of 2 produces the substitution of the water ligand by the oxime and the formation of Os{C6H4C(O)CH3}(eta(2)-H-2){N(OH)=C(CH3)(2)}((PPr3)-Pr-i)(2)]BF4 (3), which shows a hydrogen -hydrogen distance of 1.34 1. Complex 3 reacts with phenylacetylene, cyclohexylacetylene, and tert-butylacetylene to give acetophenone and the oximate-carbyne derivatives [OsH{K-N,K-O[ON=C(CH3)(2)]}(equivalent toCCH(2)R)((PPr3)-Pr-i)(2)] BF4 (R =Ph (4), Cy (5), Bu-t (6)). The structure of 4 has been determined by X-ray diffraction analysis. The distribution of ligands around the osmium atom can be described as a distorted trigonal bipyramid with apical phosphines and inequivalent angles within the Y-shaped equatorial plane. Complexes 4-6 have amphoteric nature, reacting with both KOH and HBF4(.)Et(2)O, The reactions with KOH afford the vinylidene derivatives OsH{K-N,K-O[ON=C(CH3)(2)]}(=C=CHR)((PPr3)-Pr-i)(2) (R = Ph (7), Cy (8), tBu (9)), whereas the reactions with (HBF4Et2O)-Et-. give the fluoro-oxime compounds [6sH[F --- HO =C(CH3)(2)]}(equivalent toCCH(2)R)((PPr3)-Pr-i)(2)]BF4 (R = Ph (10), Cy (11), tBu (12)). The structures of 7 and 11 have been determined by X-ray diffraction analysis. The distribution of ligands around the osmium atom of 7 is like that of 4, whereas the geometry around the metallic center of 11 can be rationalized as a distorted octahedron with the phosphine ligands in trans positions. Complexes 10, 11, and 12 contain a strong intramolecular F- - -H hydrogen bond between the fluorine and the OH-hydrogen atom of the oxime in the solid state and in dichloromethane solution (J(H-F) = 67.5 (10), 68.1 (11), and 68.7 (12) Hz). The formation of 4-12 is also discussed, on the basis of deuterium label experiments.

  DOI：

  10.1021/om0200656

文献信息

• Ester composition
  申请人：Shell Oil Company

  公开号：US05332858A1

  公开（公告）日：1994-07-26

  The invention relates to a method for preparing an ester composition in which at least one activated phenolic ether group of a molecule is reacted with at least one haloformyl group of another molecule.

  本发明涉及一种制备酯类组合物的方法，其中至少将一个分子的激活酚醚基团与另一个分子的至少一个卤甲酰基团反应。