2-methyl-4-pyrrolidinobenzophenone | 875479-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-4-pyrrolidinobenzophenone
• 英文别名: (2-Methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone；(2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
• CAS: 875479-23-5
• 化学式: C₁₈H₁₉NO
• 分子量: 265.355
• InChiKey: YUMSSTWPWQEAJR-UHFFFAOYSA-N

物化性质

• 沸点：
  424.0±38.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-4-pyrrolidinobenzophenone 在 aluminum oxide 、 正丁基锂 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.75h， 生成 3-(2-methyl-4-pyrrolidinophenyl)-3-phenyl-3H-naphtho[2,1-b]pyran
  参考文献：
  名称：

  The synthesis and electronic absorption spectra of 3-phenyl-3(4-pyrrolidino-2-substituted phenyl)-3H-naphtho[2,1-b]pyrans: further exploration of the ortho substituent effect

  摘要：

  Introduction of a substituent into a sterically demanding 2-position of a 3-(4-pyrrolidinophenyl) ring of a 3,3-diaryl-3H-naphtho[2,1-b]pyran results in the generation of an additional short wavelength absorption band leading to organic photochromes that appear as dull shades of orange and red. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.143
• 作为产物：
  描述：

  N-甲基-N-甲基苯甲酰胺 在 碘 、 magnesium 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 反应 99.0h， 生成 2-methyl-4-pyrrolidinobenzophenone
  参考文献：
  名称：

  The synthesis and electronic absorption spectra of 3-phenyl-3(4-pyrrolidino-2-substituted phenyl)-3H-naphtho[2,1-b]pyrans: further exploration of the ortho substituent effect

  摘要：

  Introduction of a substituent into a sterically demanding 2-position of a 3-(4-pyrrolidinophenyl) ring of a 3,3-diaryl-3H-naphtho[2,1-b]pyran results in the generation of an additional short wavelength absorption band leading to organic photochromes that appear as dull shades of orange and red. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.143

文献信息

• The synthesis and electronic absorption spectra of 3-phenyl-3(4-pyrrolidino-2-substituted phenyl)-3H-naphtho[2,1-b]pyrans: further exploration of the ortho substituent effect
  作者：Christopher D. Gabbutt、B. Mark Heron、Alicia C. Instone

  DOI：10.1016/j.tet.2005.09.143

  日期：2006.1

  Introduction of a substituent into a sterically demanding 2-position of a 3-(4-pyrrolidinophenyl) ring of a 3,3-diaryl-3H-naphtho[2,1-b]pyran results in the generation of an additional short wavelength absorption band leading to organic photochromes that appear as dull shades of orange and red. (c) 2005 Elsevier Ltd. All rights reserved.