2-[3-(氰基甲基)-2-甲氧基苯基]乙腈 | 144316-87-0

• 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: 2-[3-(氰基甲基)-2-甲氧基苯基]乙腈
• 中文别名: 1,3-苯二乙酰腈,2-甲氧基-
• 英文名称: 2,6-bis(cyanomethyl)anisole
• 英文别名: 2,6-di(cyanomethyl)anisole；1,3-Benzenediacetonitrile, 2-methoxy-；2-[3-(cyanomethyl)-2-methoxyphenyl]acetonitrile
• CAS: 144316-87-0
• 化学式: C₁₁H₁₀N₂O
• mdl: MFCD09923899
• 分子量: 186.213
• InChiKey: XREVKTNTUCDTGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[3-(氰基甲基)-2-甲氧基苯基]乙腈 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 对甲苯磺酸 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 39.0h， 生成 3-[3-(2-carboxyethyl)-2-methoxyphenyl]propionic acid
  参考文献：
  名称：

  Novel cryptand chromoionophores for determination of lithium ions

  摘要：

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.

  DOI：

  10.1021/jo00051a010
• 作为产物：
  描述：

  2,6-二甲基大茴香醚 在 过氧化氢苯甲酰 、 1,3-二溴-5,5-二甲基海因 、 十六烷基二甲基乙基溴化铵 作用下， 以 四氯化碳 、 水 、 苯 为溶剂， 反应 7.0h， 生成 2-[3-(氰基甲基)-2-甲氧基苯基]乙腈
  参考文献：
  名称：

  Novel cryptand chromoionophores for determination of lithium ions

  摘要：

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.

  DOI：

  10.1021/jo00051a010

文献信息

• Chromogenic Diaza-Crown Ether Dicarboxylic Acids for Determination of Calcium Ions
  作者：Richard A. Bartsch、Eddy Chapoteau、Bronislaw P. Czech、Jan Krzykawski、Anand Kumar、Thomas W. Robison

  DOI：10.1021/jo00082a019

  日期：1994.2

  The synthesis of two novel calcium chromoionophores 2 and 3, which are based on a benzodiazacrown ether with an inward-facing methoxyl group and bear two acetic acid groups and a 2,4,6-trinitroanilino chromophore, is described. Calcium and magnesium responses at pH optima are determined. Compound 2 exhibits a 31-nm bathochromic shift of the absorption maximum, an increase in the absorptivity upon complexation with Ca2+, and good selecitivity for Ca2+ over Mg2+ at pH 10.3. The response of chromoionophore 2 is linear from 0 to 8 X 10(-3) M Ca2+.
• A colorimetric method and reagent for the assay of lithium in a test sample
  申请人：Bayer Corporation

  公开号：EP0498196B1

  公开（公告）日：1996-05-08
• US5187103A
  申请人：——

  公开号：US5187103A

  公开（公告）日：1993-02-16
• Novel cryptand chromoionophores for determination of lithium ions
  作者：Wolodymyr Zazulak、Eddy Chapoteau、Bronislaw P. Czech、Anand Kumar

  DOI：10.1021/jo00051a010

  日期：1992.12

  The syntheses and chromogenic properties of three novel chromogenic (p-nitrophenyl)azo-labeled cryptands 1-3, having inward-facing phenolic groups, are described. Cryptand chromoionophore 1 has the smallest cavity of the three cryptands and exhibits total selectivity for Li+ over Na+ ions in 10% aqueous diethylene glycol monoethyl ether (DEGMEE). The association constant of 3200 M-1 was obtained in 10% aqueous DEGMEE/TMA(OH) for the 1-.Li+ complex. Compound 1 is potentially applicable for the colorimetric analysis of lithium ions in largely aqueous solutions. The slightly larger chromoionophore 2, in which diaza-12-crown-4 moiety is connected with the aromatic subunit via three-carbon bridges, is highly selective for Li+ ions in the extraction mode and shows no cation response in homogeneous aqueous media. A larger analog of 1, chromogenic cryptand 3, which incorporates diaza-18-crown-6 moiety, exhibits K+ ion selectivity in aqueous solutions.