1-{(5'-chloro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indolin]-8-yl)methyl}pyridinium chloride | 1120387-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-{(5'-chloro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indolin]-8-yl)methyl}pyridinium chloride
• 英文别名: 1-((5'-chloro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indolyn]-8-yl)methyl)pyridinium chloride
• CAS: 1120387-70-3
• 化学式: C₂₅H₂₃ClN₃O₃*Cl
• 分子量: 484.382
• InChiKey: JKWNDXUEZSYBSW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  33.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  59.49
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-{(5'-chloro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indolin]-8-yl)methyl}pyridinium chloride 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Photo- and thermochromic spiranes. 31.* Photochromic cationic spiropyrans with a pyridinium fragment in the aliphatic side chain*2

  摘要：

  Syntheses are reported for cationic indoline spiropyrans with a quaternized pyridinium fragment in the aliphatic side chain, which display photochromic properties in solution. The major effect of introducing a quaternized pyridinium fragment into the benzopyran part of the spiropyran entails a significant decrease in the rate of thermal relaxation processes.

  DOI：

  10.1007/s10593-009-0175-0
• 作为产物：
  描述：

  以 乙腈 为溶剂， 生成 1-{(5'-chloro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-indolin]-8-yl)methyl}pyridinium chloride
  参考文献：
  名称：

  Photo- and thermochromic spiranes. 31.* Photochromic cationic spiropyrans with a pyridinium fragment in the aliphatic side chain*2

  摘要：

  Syntheses are reported for cationic indoline spiropyrans with a quaternized pyridinium fragment in the aliphatic side chain, which display photochromic properties in solution. The major effect of introducing a quaternized pyridinium fragment into the benzopyran part of the spiropyran entails a significant decrease in the rate of thermal relaxation processes.

  DOI：

  10.1007/s10593-009-0175-0

文献信息

• Specific spectral properties of a photochromic ferromagnetic (C25H23N3O3Cl)CrMn(C2O4)3·H2O
  作者：S. M. Aldoshin、N. A. Sanina、V. A. Nadtochenko、E. A. Yur’eva、V. I. Minkin、N. A. Voloshin、V. N. Ikorskii、V. I. Ovcharenko

  DOI：10.1007/s11172-007-0166-1

  日期：2007.6

  A molecular magnetic (C25H23N3O3Cl)CrMn(C2O4)3·H2O whose spiropyran cation contains a quaternized pyridine fragment in the side aliphatic chain was synthesized for the first time. The compound possesses the properties of a ferromagnetic with T c = 5.2 K and photochromic properties in the crystalline state. The photochemical properties of the hybrid compound were studied by electronic and IR spectroscopies. Photochromic transformations of the spiropyran cation are accompanied by the appearance of a broad absorption band in the region 400–600 nm in the electronic spectra and by reduction of intensity of the ν(Cspiro-O) IR band at 942 cm−1.

  首次合成了分子磁性（C25H23N3O3Cl）CrMn（C2O4）3·H2O，其螺吡喃阳离子在侧链脂肪族链中包含一个季铵化的吡啶片段。该化合物具有铁磁性的特性，Tc = 5.2 K，在结晶状态下具有光致变色特性。通过电子和红外光谱研究了混合化合物的光化学特性。螺吡喃阳离子的光致变色转变伴随着电子光谱中400-600 nm区域出现一个宽吸收带，以及ν（Cspiro-O）红外波段在942 cm-1处强度降低。