[4-[(4-二甲基氨基苯基)-苯基亚甲基]-1-环己-2,5-二烯亚基]-二甲基氯化铵 | 10309-95-2

• 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: [4-[(4-二甲基氨基苯基)-苯基亚甲基]-1-环己-2,5-二烯亚基]-二甲基氯化铵
• 中文别名: 中国绿；孔雀石绿；孔雀绿
• 英文名称: malachit green
• 英文别名: malachite green oxalate；Malachit gruen Kation；Malachite green；malachitegreen；basic green；Malachite green cation；[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
• CAS: 10309-95-2
• 化学式: C₂₃H₂₅N₂
• 分子量: 329.465
• InChiKey: VFCNQNZNPKRXIT-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 碰撞截面：
  190.05 Ų [M+H]+

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [4-[(4-二甲基氨基苯基)-苯基亚甲基]-1-环己-2,5-二烯亚基]-二甲基氯化铵 在 氢氰酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 2,2-二-(4-N,N-二甲胺苯基)-2-苯乙腈
  参考文献：
  名称：

  Sinev, V. V.; Nikolova, T. A., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 2079 - 2083

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二-(4-N,N-二甲胺苯基)-2-苯乙腈 以 乙腈 为溶剂， 生成 [4-[(4-二甲基氨基苯基)-苯基亚甲基]-1-环己-2,5-二烯亚基]-二甲基氯化铵
  参考文献：
  名称：

  接触离子对的离子光解离和皮秒溶剂化动力学

  摘要：

  DOI：

  10.1021/j100277a017

文献信息

• SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors
  申请人：Bellott M. Emile

  公开号：US20070110672A1

  公开（公告）日：2007-05-17

  Small Molecule Metabolite Reporters (SMMRs) for use as in vivo glucose biosensors, sensor compositions, and methods of use, are described. The SMMRs include boronic acid-containing xanthene, coumarin, carbostyril and phenalene-based small molecules which are used for monitoring glucose in vivo, advantageously on the skin.

  用于体内葡萄糖生物传感器的Small Molecule Metabolite Reporters (SMMRs)、传感器组合物及其使用方法被描述。SMMRs包括含有硼酸的小分子，基于黄烷、香豆素、卡波罗司坦和菲内烯，用于监测体内的葡萄糖，优选在皮肤上。
• COLORING AGENTS AND METHODS OF USE THEREOF
  申请人：Living Proof, Inc.

  公开号：US20160106648A1

  公开（公告）日：2016-04-21

  Dyes, compositions comprising dyes and methods for using the same are provided.

  染料、包含染料的组合物以及使用这些染料的方法。
• BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160340374A1

  公开（公告）日：2016-11-24

  An object of the present invention is to provide a compound which is capable of attaining a composition having high storage stability without reacting with a base-reactive compound, even in the case of storage for a long period of time in a mixed state with the base-reactive compound, such as an epoxy-based compound, as well as capable of generating a strong base (guanidines, biguanides, phosphazenes or phosphoniums) by irradiation of light (active energy rays) or heating; a base generator comprising the compound; and a base-reactive composition comprising the base generator and the base-reactive compound. The present invention relates to the compound represented by the general formula (A); the base generator comprising the compound; and the base-reactive composition comprising the base generator and the base-reactive compound. (wherein R 1 represents an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; an alkenyl group; a 2-furylethynyl group; a 2-thiophenylethynyl group; or a 2,6-dithianyl group; R 2 to R 4 each independently represent an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; the aryl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; a furanyl group; a thienyl group; or an N-alkyl-substituted pyrrolyl group; Z + represents an ammonium cation having a guanidinium group, a biguanidium group or a phosphazenium group, or a phosphonium cation.)

  本发明的目的是提供一种化合物，能够在与碱反应性化合物混合状态长时间存储的情况下，仍能获得具有高储存稳定性的组合物，而不与碱反应性化合物发生反应，同时还能通过光照（活性能量射线）或加热产生强碱（胍胺、双胍胺、磷氮烷或磷銨）；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。本发明涉及由通式（A）表示的化合物；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。（其中R1代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；烯基；2-呋喃基炔基；2-噻吩基炔基；或2,6-二硫基基；R2到R4各自独立地代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基；呋喃基；噻吩基；或N-烷基取代的吡咯基；Z+代表具有胍胺基团、双胍胺基团或磷氮烷基团的铵阳离子，或磷銨阳离子。）
• Mechanism of hydride transfer reaction from 4-(dimethylamino)phenyl methane derivatives to 2,3-dichloro-5,6-dicyano-p-benzoquinone
  作者：Shunzo Yamamoto、Tetsuo Sakurai、Liu Yingjin、Yoshimi Sueishi

  DOI：10.1039/a809358j

  日期：——

  The kinetics of the hydride-transfer reactions from bis[4-(dimethylamino)phenyl] methane (MH2), bis[4-(dimethylamino)phenyl] methoxy methane (MHOMe), Leuco Malachite Green (MGH) and Leuco Crystal Violet (CVH) to 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) have been investigated spectrophotometrically by means of the stopped-flow technique. The negative activation enthalpies were obtained for the hydride-transfer reactions from MH2, MHOMe and MGH to DDQ in dichloromethane. These negative activation enthalpies suggest that the charge–transfer (CT) complexes are true intermediates in the hydride-transfer reactions from these donors to DDQ, as previously pointed out for MH2–DDQ system in trichloroethane. The formation of charge–transfer complexes between MH2, MHOMe, MGH and CVH and p-chloranil (CA) were observed in EPA (ethylether–pentane–ethanol) at low temperatures. The oxidation potential (Eox°) of MHOMe, MGH and CVH were estimated using the linear correlation between the CT transition energy and the Eox° value for the known CT complexes between CA and N,N-dimethylaniline derivatives. The rates were found to be correlated to the Eox° values of the donors.

  从双[4-(二甲氨基)苯]甲烷 (MH2)、双[4-(二甲氨基)苯]甲氧基甲烷 (MHOMe)、靛青绿 (MGH) 和晶体紫 (CVH) 到 2,3-二氯-5,6-二氰基对苯二酮 (DDQ) 的氢化物转移反应动力学已通过停止流动技术进行光谱测定。 在二氯甲烷中，来自 MH2、MHOMe 和 MGH 到 DDQ 的氢化物转移反应获得了负的活化焓。 这些负的活化焓表明，电荷转移 (CT) 复合物是真正的中间体，在从这些供体到 DDQ 的氢化物转移反应中，正如之前在三氯乙烷中的 MH2–DDQ 系统所指出的那样。 在低温下，观察到 MH2、MHOMe、MGH 和 CVH 与对氯苯醌 (CA) 之间的电荷转移复合物的形成。 通过已知的 CA 和 N,N-二甲基苯胺衍生物之间的 CT 复合物的 CT 跃迁能量与 Eox° 值之间的线性关系，估算了 MHOMe、MGH 和 CVH 的氧化电位 (Eox°)。 发现反应速率与供体的 Eox° 值相关。
• Kinetics of Fading of Some Triphenylmethane Dyes: Effects of Electric Charge, Substituent, and Aqueous Binary Mixtures of Dimethyl Sulfoxide and 2-Propanol
  作者：B. Samiey、Z. Dalvand

  DOI：10.1002/kin.20831

  日期：2014.1

  The rate constants of alkaline fading of a number of triphenylmethane (TPM) dyes including methyl green (ME2+), brilliant green (BG+), fuchsin acid (FA2−), and bromophenol blue (BPB2−) were obtained in aqueous binary mixtures of 2‐propanol (protic solvent) and dimethyl sulfoxide (DMSO) (aprotic solvent) at different temperatures. It was observed that the reaction rate constants of BG+ and ME2+ increased

  获得了包括甲基绿（ME 2+），亮绿色（BG +），品红酸（FA 2−）和溴酚蓝（BPB 2-）在内的许多三苯甲烷（TPM）染料的碱性褪色速率常数。2-丙醇（质子溶剂）和二甲基亚砜（DMSO）（非质子溶剂）在不同温度下的二元水性混合物。观察到BG +和ME 2+的反应速率常数增加，FA 2−和BPB 2−的反应速率常数增加随着2-丙醇水溶液和DMSO二元混合物重量百分比的增加而降低。2-丙醇和DMSO除与TPM染料发生疏水相互作用外，还分别通过氢键和离子-偶极相互作用与所用的TPM分子相互作用。通过SESMORTAC模型获得了这些溶液中褪色反应的基本速率常数。此外，研究了许多TPM染料的电荷和取代基对其碱性褪色速率的影响。