2,2'-(2,4,6-trimethyl-1,3-phenylene)diacetonitrile | 87614-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2'-(2,4,6-trimethyl-1,3-phenylene)diacetonitrile
• 英文别名: (3-cyanomethyl-2,4,6-trimethylphenyl)acetonitrile；2,4,6-Trimethyl-1,3-bis(cyanomethyl)benzene；2,4,6-trimethyl-1,3-phenylenediacetonitrile；2,4,6-trimethylphenylene-1,3-diacetonitrile；3-Cyanomethyl-2,4,6-trimethylbenzylcyanid；1,3-bis(cyanomethyl)-2,4,6-trimethylbenzene；1,3-Di(cyanomethyl)-2,4,6-trimethylbenzene；2-[3-(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile
• CAS: 87614-63-9
• 化学式: C₁₃H₁₄N₂
• mdl: MFCD09753479
• 分子量: 198.268
• InChiKey: MUYZQKWYTIHYFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2,2'-(2,4,6-trimethyl-1,3-phenylene)diacetonitrile 在 氢氧化钾 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 吡啶 、 乙醚 、 乙醇 、 水 、 苯 为溶剂， 生成 1,3,5-trimethyl-2,4-bis(3-hydroxypropyl)benzene
  参考文献：
  名称：

  Synthesis of doubly and triply bridged chromium arene phosphite complexes

  摘要：

  DOI：

  10.1007/bf00957551
• 作为产物：
  描述：

  氰化钠 、 2,4-二(溴甲基)-1,3,5-三甲基苯 以 甲醇 、 水 为溶剂， 反应 5.0h， 以76%的产率得到2,2'-(2,4,6-trimethyl-1,3-phenylene)diacetonitrile
  参考文献：
  名称：

  Phenol-containing bis(oxazolines): synthesis and fluorescence sensing of amines

  摘要：

  The fluorescence sensing of primary amines as their neutral forms has been studied with bis(oxazolinyl)phenols (Me-BOP, Ph-BOP), which are efficiently synthesized starting from mesitylene in six steps and in overall 12-22% yields. The BOP sensors showed fluorescence enhancement toward butylamine and several arylethylamines, whereas they showed fluorescence quenching toward secondary and branched amines. The opposite fluorescence behavior is explained by an increased conformational restriction at the excited state, at which a proton transfer complex between the host and guest forms that is stabilized in a tripodal hydrogen bonding mode. This is the first example in which fluorescence enhancement is observed in amine sensing with phenolic fluorophores. Enantiomeric alpha-chiral organoamines were also sensed with different fluorescent intensity changes by Ph-BOP, complementing the previous tris(oxazolines) that sense enantiomeric alpha-chiral organoammonium ions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.060

文献信息

• N-heteroaryl aryl-substituted thienyl-furyl-and pyrrolyl-sulfonamides and derviatives thereof that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation

  公开号：US06420567B1

  公开（公告）日：2002-07-16

  Thienyl-, furyl- and pyrrolyl-sulfonamides, formulations of pharmaceutically-acceptable salts thereof and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, N-(isoxazolyl)thienylsulfonamides, N-(isoxazolyl)furylsulfonamides and N-(isoxazolyl)pyrrolylsulfonamides, formulations thereof and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or prodrugs thereof that inhibit the activity of endothelin are also provided.

  噻吩基、呋喃基和吡咯基磺酰胺，以及它们的药物可接受盐的配方，以及调节或改变内皮素肽家族活性的方法。特别是，提供N-(异恶唑基)噻吩磺酰胺、N-(异恶唑基)呋喃磺酰胺和N-(异恶唑基)吡咯磺酰胺，它们的配方以及使用这些磺酰胺通过将受体与磺酰胺接触来抑制内皮素肽与内皮素受体结合的方法。还提供了通过给予有效量的一个或多个这些磺酰胺或抑制内皮素活性的前药来治疗内皮素介导的疾病的方法。
• Imidazolium-Based Frameworks: Imidazolium Salt-Oxazoline/Palladium(II) Acetate In Situ Catalyst Systems
  作者：Ermitas Alcalde、Neus Mesquida、Immaculada Dinarès、Sandra Rodríguez

  DOI：10.1055/s-2007-965938

  日期：2007.3

  New simple imidazolium-based bidentate ligand precursors were prepared by a three-step protocol and bis(oxazoline) ligands were prepared in two steps. A Suzuki-Miyaura reaction was utilized to ascertain the activity of a palladium(II) catalyst system generated in situ from an oxazolinyl-imidazolium cation, a bis(oxazoline), and palladium(II) acetate. Among them, two sterically hindered N-arylimidazolium cations demonstrated their efficiency with both aryl bromides and chlorides in low catalyst-system loading.

  通过三步法合成了新型简单咪唑啉类双齿配体前体，并通过两步法制备了双(恶唑啉)配体。利用铃木-宫浦反应来确定由恶唑啉基咪唑啉阳离子、双(恶唑啉)和乙酸钯(II)原位生成的钯(II)催化剂体系的活性。其中，两种立体阻碍的N-芳基咪唑啉阳离子在低催化剂体系负载下展示了其对芳基溴化物和氯化物的有效性。
• Coordination features of bis(N-heterocyclic carbenes) and bis(oxazolines) with 1,3-alkylidene-2,4,6-trimethylbenzene spacers. Synthesis of the ligands and silver and palladium complexes
  作者：Ermitas Alcalde、Rosa M. Ceder、Cristina López、Neus Mesquida、Guillermo Muller、Sandra Rodríguez

  DOI：10.1039/b703656f

  日期：——

  yield. Imidazolium salts based on the shorter methylene spacer were used to prepare palladium complexes (17–20) with N-heterocyclic carbenes via transmetallation from well-defined silver compounds or directly in basic conditions. In order to facilitate spectroscopic characterisation of the palladium species two [Pd(allyl)(bis-oxazoline)]+ (25–26) complexes with the same ligand bridge were synthesized

  基于简单咪唑鎓的合成 配体检查了含有1,3-亚烷基-2,4,6-三甲基苯间隔基的前体，并根据亚烷基臂的性质采用了不同的合成方案。为一个亚甲基手臂，直接获得简单的指征5a，b · 2Cl。较高的同系物对应物可通过一般的多步路径按照以下五步顺序方便地制备乙烯双阳离子6A，6B · 2BR或丙烯双阳离子六步序列7A，B · 2BR在≥52％的总收率。咪唑盐基于较短的亚甲基用间隔物制备钯配合物（17-20），并与N-杂环卡宾 通过 金属化可以从定义明确的银化合物中提取，也可以直接在碱性条件下提取。为了促进光谱表征钯合成了两个具有相同配体桥的[Pd（烯丙基）（双-恶唑啉）] +（25–26）配合物。[PdX 2 bisL]复合物以物种的混合物形式存在，呈单核与顺式或反式几何或低聚化合物的混合物。[PdCl（烯丙基）] 2和µ-双（卡宾）（AgX）2络合物按1：1或0.5：1的比例反应生成双核化合物[Pd
• Sulfonamides and derivatives thereof that modulate the activity of endothelin
  申请人：——

  公开号：US20030208084A1

  公开（公告）日：2003-11-06

  Thienyl-, furyl- and pyrrolyl-sulfonamides, formulations of pharmaceutically-acceptable salts thereof and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, N-(isoxazolyl)thienylsulfonamides, N-(isoxazolyl)furylsulfonamides and N-(isoxazolyl)pyrrolylsulfonamides, formulations thereof and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or prodrugs thereof that inhibit the activity of endothelin are also provided.

  本文提供了噻吩基、呋喃基和吡咯基磺酰胺、其药学上可接受的盐的配方以及调节或改变内皮素家族肽活性的方法。特别地，提供了N-(异恶唑基)噻吩基磺酰胺、N-(异恶唑基)呋喃基磺酰胺和N-(异恶唑基)吡咯基磺酰胺及其配方，以及使用这些磺酰胺通过与受体接触来抑制内皮素肽与内皮素受体的结合的方法。还提供了通过给予这些磺酰胺或其前药的有效剂量来治疗内皮素介导的疾病的方法，这些磺酰胺或其前药抑制内皮素的活性。
• Curable liquid compositions containing bisoxazoline
  申请人：Musa M. Osama

  公开号：US20070032578A1

  公开（公告）日：2007-02-08

  Difunctional oxazoline resins, which may be produced in a convenient one-step reaction from an arylalkylene dinitrile by reaction with an amino alcohol, are used in compositions with an additional curable compound or resin containing one or more carbon to carbon double bonds. The composition can be cured to a thermoset material, the curing mechanism occurring by the zwitterion polymerization of the bisoxazoline resin with the resin containing the one or more carbon to carbon double bonds. The reaction occurs without the need for curing initiators.(I).

  双官能团噁唑啉树脂可以通过芳基烷基双腈与氨基醇反应方便地一步制备而成，与含有一个或多个碳-碳双键的可固化化合物或树脂混合使用。该组合物可以固化为热固性材料，固化机理是通过双噁唑啉树脂与含有一个或多个碳-碳双键的树脂的离子对聚合反应发生。该反应不需要固化引发剂。(I)