6-bromo-7-[(3,5-di-tert-butyl)phenoxy]-2,3-dicyanonaphthalene | 899419-72-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-bromo-7-[(3,5-di-tert-butyl)phenoxy]-2,3-dicyanonaphthalene
• CAS: 899419-72-8
• 化学式: C₂₆H₂₅BrN₂O
• 分子量: 461.401
• InChiKey: NFAJLTFSLBQYNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.73
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  56.81
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6-bromo-7-[(3,5-di-tert-butyl)phenoxy]-2,3-dicyanonaphthalene 、 氯化铟 以 further solvent(s) 为溶剂， 以52%的产率得到cloro indium(III) 2-tetrabromo-3-tetra-(3,5-di-tert-butylphenoxy)naphthalocyanine
  参考文献：
  名称：

  Nonlinear Transmission of a Tetrabrominated Naphthalocyaninato Indium Chloride

  摘要：

  The axially substituted complex chloro indium(III) 2-tetrabromo-3-tetra-(3,5-di-tert-butylphenyloxy)naphthalocyanine [Br-4(tBu(2)PhO)(4)NcInCl (1); MW = 1996] has been synthesized for the first time, and its nonlinear transmission properties have been evaluated with the Z-scan technique in both open and closed aperture configurations at 532 nm for nanosecond pulsed radiation. The tetrabrominated complex 1 displayed a larger positive nonlinear absorption coefficient when compared to an analogous nonbrominated naphthalocyanine [(tBu(2)PhO)(8)NcInCl (2); MW = 2498]. The effect of the four Br atoms on the nonlinear optical behavior of 1 is evaluated, discussed, and compared with the nonlinear optical behavior of 2. It is shown that the bromination of the naphthalocyanine ring considerably improves the limiting properties of such a system when high-intensity radiations are produced by nanosecond laser pulses at 532 nm.

  DOI：

  10.1021/jp0571776