3-(4-penthylphenyl)-2H-chromen-2-one | 940949-09-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-penthylphenyl)-2H-chromen-2-one
• 英文别名: 3-(4-pentylphenyl)-2H-chromen-2-one；3-(4-penthylphenyl)coumarin；3-(4-Pentylphenyl)chromen-2-one
• CAS: 940949-09-7
• 化学式: C₂₀H₂₀O₂
• 分子量: 292.378
• InChiKey: CDVTVCKLZMXEOR-UHFFFAOYSA-N

物化性质

• 沸点：
  452.8±34.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-penthylphenyl)-2H-chromen-2-one 在 palladium(II) oxide 氢气 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 48.0h， 以61%的产率得到3-(4-penthylphenyl)hydrocoumarin
  参考文献：
  名称：

  COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT

  摘要：

  公开号：

  EP1958945B1
• 作为产物：
  描述：

  2-(4-pentylphenyl)acetoxybenzaldehyde 在 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 以62%的产率得到3-(4-penthylphenyl)-2H-chromen-2-one
  参考文献：
  名称：

  COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT

  摘要：

  公开号：

  EP1958945B1

文献信息

• Palladium catalyzed dehydrogenative arylation of coumarins: an unexpected switch in regioselectivity
  作者：Farnaz Jafarpour、Hamideh Hazrati、Nazanin Mohasselyazdi、Mehdi Khoobi、Abbas Shafiee

  DOI：10.1039/c3cc46959j

  日期：——

  A new regioselective alpha-arylation of coumarins with unactivated simple arenes via a palladium-catalyzed twofold C-H functionalization is devised. This method offers an attractive new approach to synthesis of a wide variety of 3-arylcoumarins from readily accessible starting materials.

  设计了一种新的香豆素的区域选择性α-芳构化与未活化的简单芳烃，其通过钯催化的双CH官能团化。该方法提供了一种有吸引力的新方法，可以从易于获得的起始原料合成多种3-芳基香豆素。
• Highly Regioselective α-Arylation of Coumarins<i>via</i>Palladium-Catalyzed CH Activation/Desulfitative Coupling
  作者：Farnaz Jafarpour、Mina Barzegar Amiri Olia、Hamideh Hazrati

  DOI：10.1002/adsc.201300707

  日期：2013.11.25

  AbstractA novel regioselective α‐arylation of coumarins with readily available arenesulfonyl chlorides and sodium arenesulfinates via palladium‐catalyzed direct CH functionalizations under mild reaction conditions is described. This protocol presents an unexpected and highly regio‐controlled arylation of coumarins at C‐3 to construct interesting 3‐arylcoumarins with fascinating biological and fluorescent properties. The regioselectivity observed is in sharp contrast with that expected for the Heck reactions.magnified image
• COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Goto Mayumi

  公开号：US20090267026A1

  公开（公告）日：2009-10-29

  A liquid crystal compound is to be obtained that has stability to heat, light and so forth, a high clearing point, a suitable optical anisotropy, a large negative dielectric anisotropy, and excellent compatibility with other liquid crystal compounds. A liquid crystal composition containing the compound is also to be obtained that has a low viscosity, a suitable optical anisotropy, a suitable negative dielectric anisotropy, a low threshold voltage, a high maximum temperature of a nematic phase (phase transition temperature from a nematic phase to an isotropic phase), and a low minimum temperature of a nematic phase. A compound having a hydrocoumarin skeleton is synthesized, and a liquid crystal composition containing the compound is produced.
• COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：GOTO Mayumi

  公开号：US20110193021A1

  公开（公告）日：2011-08-11

  A liquid crystal compound is to be obtained that has stability to heat, light and so forth, a high clearing point, a suitable optical anisotropy, a large negative dielectric anisotropy, and excellent compatibility with other liquid crystal compounds. A liquid crystal composition containing the compound is also to be obtained that has a low viscosity, a suitable optical anisotropy, a suitable negative dielectric anisotropy, a low threshold voltage, a high maximum temperature of a nematic phase (phase transition temperature from a nematic phase to an isotropic phase), and a low minimum temperature of a nematic phase. A compound having a hydrocoumarin skeleton is synthesized, and a liquid crystal composition containing the compound is produced.
• US7951305B2
  申请人：——

  公开号：US7951305B2

  公开（公告）日：2011-05-31