(S)-(-)-N-(5-硝基-2-吡啶基)脯氨醇 | 88374-37-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: (S)-(-)-N-(5-硝基-2-吡啶基)脯氨醇
• 英文名称: 2-(N-prolinol)-5-nitropyridine
• 英文别名: (S)-(-)-N-(5-Nitro-2-pyridyl)prolinol；[(2S)-1-(5-nitropyridin-2-yl)pyrrolidin-2-yl]methanol
• CAS: 88374-37-2
• 化学式: C₁₀H₁₃N₃O₃
• mdl: MFCD00145250
• 分子量: 223.232
• InChiKey: YBARIBJRNJYVTK-VIFPVBQESA-N

物化性质

• 熔点：
  83 °C
• 沸点：
  437.2±30.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-5-硝基吡啶 、 L-脯氨醇 在 N-甲基吡咯烷酮 、 三乙胺 作用下， 以 异辛烷 、 甲苯 为溶剂， 以25.3 g的产率得到(S)-(-)-N-(5-硝基-2-吡啶基)脯氨醇
  参考文献：
  名称：

  Molecular and crystal structure of the nonlinear optical material: 2‐(N‐prolinol)‐5‐nitropyridine (PNP)

  摘要：

  The structure [C10H13N3O3,Mr=223.23, monoclinic, P21, a=5.182(1) Å, b=14.964(4) Å, c=7.045(1) Å, β=106.76(1)°, V=523.1 Å3, Z=2, Dx=1.42 Mg mm−3, μ=9.0 cm−1, F(000)=236, 23±1 °C, R=(Σ‖‖F0‖−‖Fc‖‖/Σ‖F0‖) =0.047 based on 930 reflections with F20>3.0σ(F20)] of this compound reveals it to optimally satisfy many of the structural and symmetry restrictions required for optical second harmonic generation (SHG). The molecules are extraordinarily well aligned to optimize noncritically phase matched SHG with the amino nitrogen to nitro nitrogen charge transfer axis making an angle of 59.6° with the unique axis (b). The mean aromatic plane sits nearly perfectly in the (101) crystallographic plane which may be a natural cleavage surface through which normal propagation may produce noncritically phase matched SHG. Powder optical second harmonic generation measurements (λ=1.06μ; Nd-YAG laser) yield a value of 140.0x relative to powdered urea. Molecules related by a screw operation and the translation [0,0,1] are intermolecularily hydrogen bonded [amino–H/nitro–O; 2.20(10) Å]. The structure is essentially isostructural to the earlier reported structure of N-(4-nitrophenyl)-(L)-prolinol (NPP) which appears to possess slightly enhanced second harmonic efficiency.

  DOI：

  10.1063/1.450925

文献信息

• Thin-film fabrication method and apparatus
  申请人：Agency of Industrial Science and Technology of Ministry of International Trade and Industry

  公开号：EP0854024A2

  公开（公告）日：1998-07-22

  A thin-film fabrication method includes a spray step in which at least one thin-film composition material in liquid form is sprayed into a vacuum vessel via a spray nozzle provided for each thin-film composition material and deposited on a substrate, and a heat treatment step in which the material deposited on the substrate is heat treated. The substrate temperature in the spray step and/or the heat treatment step is controlled within a prescribed temperature range.

  一种薄膜制造方法包括喷雾步骤和热处理步骤，在喷雾步骤中，至少一种液态薄膜组合材料通过为每种薄膜组合材料提供的喷嘴喷入真空容器并沉积在基底上，在热处理步骤中，沉积在基底上的材料经过热处理。喷涂步骤和/或热处理步骤中的基底温度控制在规定的温度范围内。
• Polyimide optical materials, polyimide precursor solutions and optical waveguide elements
  申请人：——

  公开号：US20040197064A1

  公开（公告）日：2004-10-07

  Several novel polyimide materials are disclosed. One example is apolyimide material comprising heterocyclic polyimide having an unit represented by the following general formula (1): 1 (wherein &PHgr; 1 s may be the same or different and are individually a quadrivalent organic group, the &PHgr; 1 s including at least 0.2 molar equivalent of a quadrivalent hetrocyclic group selected from the following Group (a), &PSgr; 1 s may be the same or different and are individually a bivalent organic group, and n is a positive integer).

  本文公开了几种新型聚酰亚胺材料。其中一个例子是由杂环聚酰亚胺组成的聚酰亚胺材料，其单元由以下通式（1）表示： 1 (其中 &PHgr； 1 s可以相同或不同，且各自为四价有机基团，&PHgr； 1 s 包括至少 0.2 摩尔当量的选自以下组别的四价杂环基团 (a)，&PSgr； 1 s可以相同或不同，且各自为二价有机基团，n为正整数）。
• POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS
  申请人：Kawamonzen Yoshiaki

  公开号：US20060159413A1

  公开（公告）日：2006-07-20

  Several novel polyimide materials are disclosed. One example is a polyimide material comprising heterocyclic polyimide having an unit represented by the following general formula (1): (wherein Φ 1 s may be the same or different and are individually a quadrivalent organic group, the Φ 1 s including at least 0.2 molar equivalent of a quadrivalent hetrocyclic group selected from the following Group (a), Ψ 1 s may be the same or different and are individually a bivalent organic group, and n is a positive integer).

  本文公开了几种新型聚酰亚胺材料。其中一个例子是由杂环聚酰亚胺组成的聚酰亚胺材料，其单元由以下通式（1）表示： (其中Φ 1 s可以相同或不同，且各自为四价有机基团，Φ 1 1 s 包括至少 0.2 摩尔当量的选自以下(a)组的四价杂环基团，Ψ 1 s 可以相同或不同，且各自为二价有机基团，n 为正整数）。
• JP2006018112A
  申请人：——

  公开号：JP2006018112A

  公开（公告）日：2006-01-19
• US6319321B1
  申请人：——

  公开号：US6319321B1

  公开（公告）日：2001-11-20