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5-Methoxy-2-[1-phenyl-meth-(E)-ylidene]-pent-3-ynoic acid | 134889-90-0

中文名称
——
中文别名
——
英文名称
5-Methoxy-2-[1-phenyl-meth-(E)-ylidene]-pent-3-ynoic acid
英文别名
(2E)-2-benzylidene-5-methoxypent-3-ynoic acid
5-Methoxy-2-[1-phenyl-meth-(E)-ylidene]-pent-3-ynoic acid化学式
CAS
134889-90-0
化学式
C13H12O3
mdl
——
分子量
216.236
InChiKey
UCKODNXFJGNTCM-ZRDIBKRKSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.9
  • 重原子数:
    16
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.15
  • 拓扑面积:
    46.5
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

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文献信息

  • First example of direct carbon dioxide incorporation into 1,3-diynes: a highly regio- and stereo-selective nickel-catalysed electrochemical reaction
    作者:Sylvie Dérien、Jean-Claude Clinet、Elisabet Duñach、Jacques Périchon
    DOI:10.1039/c39910000549
    日期:——
    The electrosynthesis of 2-vinylidene-3-yne carboxylic acids from carbon dioxide and substituted 1,3-diynes is catalysed by a nickel–triamine complex and results in a regio- and stereo-selective addition to one triple bond.
    从二氧化碳和取代的1,3-二炔合成2-乙烯基-3-炔羧酸的电合成反应,在镍-三胺配合物的催化下,结果是对一个三键的区域选择性和立体选择性加成。
  • Activation of carbon dioxide: nickel-catalyzed electrochemical carboxylation of diynes
    作者:Sylvie Derien、Jean Claude Clinet、Elisabet Dunach、Jacques Perichon
    DOI:10.1021/jo00061a038
    日期:1993.4
    The simultaneous activation of carbon dioxide and diynes by electrogenerated LNi(0) complexes (L = bpy, pentamethyldiethylenetriamine: PMDTA) enables the selective incorporation of one molecule of CO2 into the unsaturated systems and the preparative-scale electrosyntheses of carboxylic acids. A series of nonconjugated diynes afforded selectively linear or cyclic adducts depending on the ligand. Diynes bearing both a terminal and an internal triple bond gave exclusive CO2 incorporation into the terminal alkynyl group, regioselectively at the 2-position. The electrocarboxylation of 1,3-diynes with the Ni-PMDTA catalytic system yielded, regio- and stereoselectively, (E)-2-vinylidene-3-yne carboxylic acids in one step. The electrosyntheses were carried out in single-compartment cells fitted with a consumable magnesium anode, and utilized a catalytic amount of an air-stable Ni(II) complex as the catalyst precursor. Cyclic voltammetry studies revealed that both carbon dioxide and the diynes are able to coordinate to LNi(0)-generated species in DMF.
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