5'-hydroxomethyl-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole] | 1444001-83-5

• 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: 5'-hydroxomethyl-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
• 英文别名: (1',3',3'-Trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)methanol；(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)methanol
• CAS: 1444001-83-5
• 化学式: C₂₀H₂₀N₂O₄
• 分子量: 352.39
• InChiKey: JVEUJQSEOBDVEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  78.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  马来酰亚胺 、 5'-hydroxomethyl-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole] 在 新戊醇 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以29%的产率得到5'-maleimidomethyl-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
  参考文献：
  名称：

  New maleimide spirobenzopyran derivatives as photochromic labels for macromolecules with sulfhydryl groups

  摘要：

  Two new photochromic labels of spiro[chromene-2,2'-indole] series supplied with 5-positioned maleimide moieties suitable for labelling macromolecules with sulfhydryl groups were synthesized.

  DOI：

  10.1016/j.mencom.2014.06.020
• 作为产物：
  描述：

  6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]-5'-carbaldehyde 在 sodium tetrahydroborate 、 异丙醇 作用下， 以 四氢呋喃 为溶剂， 生成 5'-hydroxomethyl-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
  参考文献：
  名称：

  Ethynyl-equipped Spirobenzopyrans as Promising Photochromic Markers for Nucleic Acid Fragments

  摘要：

  New photochromic markers for nucleic acid fragments, 6'-nitro-substituted spirobenzopyrans equipped with ethynyl group through the appropriate linkers, were subjected to the Sonogashira coupling with model 5-iodo-1,3-dimethyluracil.

  DOI：

  10.1016/j.mencom.2013.05.008

文献信息

• New maleimide spirobenzopyran derivatives as photochromic labels for macromolecules with sulfhydryl groups
  作者：Alexey V. Laptev、Alexey Yu. Lukin、Nikolay E. Belikov、Olga V. Demina、Andrey A. Khodonov、Vitalii I. Shvets

  DOI：10.1016/j.mencom.2014.06.020

  日期：2014.7

  Two new photochromic labels of spiro[chromene-2,2'-indole] series supplied with 5-positioned maleimide moieties suitable for labelling macromolecules with sulfhydryl groups were synthesized.
• Ethynyl-equipped Spirobenzopyrans as Promising Photochromic Markers for Nucleic Acid Fragments
  作者：Alexey V. Laptev、Alexey Yu. Lukin、Nikolay E. Belikov、Valery A. Barachevskii、Olga V. Demin、Andrey A. Khodonov、Sergei D. Varfolomeev、Vitalii I. Shvets

  DOI：10.1016/j.mencom.2013.05.008

  日期：2013.5

  New photochromic markers for nucleic acid fragments, 6'-nitro-substituted spirobenzopyrans equipped with ethynyl group through the appropriate linkers, were subjected to the Sonogashira coupling with model 5-iodo-1,3-dimethyluracil.