2-heptylbenzofuran | 92654-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-heptylbenzofuran
• 英文别名: 2-heptyl-1-benzofuran
• CAS: 92654-58-5
• 化学式: C₁₅H₂₀O
• 分子量: 216.323
• InChiKey: KCJPVASLGAWGAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-heptylbenzofuran 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 1,2-bis(2-heptyl-1-benzofuran-3-yl)perfluorocyclopentene
  参考文献：
  名称：

  1,2-双(2-烷基-1-苯并呋喃-3-基)全氟环戊烯衍生物的光致变色

  摘要：

  [反应：见正文] 合成了具有苯并呋喃杂芳基的光致变色二芳基乙烯衍生物，双(2-甲基-1-苯并呋喃-3-基)全氟环戊烯和双(2-丁基-1-苯并呋喃-3-基)全氟环戊烯，并在己烷溶液和单晶相中检查了它们的光致变色性能。即使在单晶相中，这些化合物也表现出光致变色反应性。

  DOI：

  10.1002/ejoc.200600011
• 作为产物：
  描述：

  2-(1-Hydroxy-2-nonynyl)phenol 在 异氰酸叔丁酯 、 palladium diacetate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以78%的产率得到2-heptylbenzofuran
  参考文献：
  名称：

  Pd-Catalyzed Isocyanide Assisted Reductive Cyclization of 1-(2-Hydroxyphenyl)-propargyl Alcohols for 2-Alkyl/Benzyl Benzofurans and Their Useful Oxidative Derivatization

  摘要：

  An unusual Pd-catalyzed isocyanide assisted 5exo-dig reductive cyclization of 1-(2-hydroxyphenyl)-propargyl alcohols is achieved for 2-alkyl/benzyl benzofurans. The reaction features a high substrate scope, insensitivity to air, and excellent product yielding. Further, a direct metal-free C-H functionalization (azidation, alkoxylation, and hydroxylation) and selective oxidative cleavage of thus synthesized 2-benzylfurans are described for azido-, alkoxy-, hydroxyl-, amide-, and tetrazolyl adducts.

  DOI：

  10.1021/acs.joc.5b02204

文献信息

• INK FOR ORGANIC EL
  申请人：JOLED Inc.

  公开号：US20180030297A1

  公开（公告）日：2018-02-01

  According to one embodiment, an ink for organic EL includes an organic EL contributing material and an organic solvent. A relative energy difference RED based on Hansen solubility parameters which attribute to the organic EL contributing material and the organic solvent, respectively, is less than 0.5.
• Pd-Catalyzed Isocyanide Assisted Reductive Cyclization of 1-(2-Hydroxyphenyl)-propargyl Alcohols for 2-Alkyl/Benzyl Benzofurans and Their Useful Oxidative Derivatization
  作者：Manda Rajesh、Nuligonda Thirupathi、Thota Jagadeshwar Reddy、Sanjeev Kanojiya、Maddi Sridhar Reddy

  DOI：10.1021/acs.joc.5b02204

  日期：2015.12.18

  An unusual Pd-catalyzed isocyanide assisted 5exo-dig reductive cyclization of 1-(2-hydroxyphenyl)-propargyl alcohols is achieved for 2-alkyl/benzyl benzofurans. The reaction features a high substrate scope, insensitivity to air, and excellent product yielding. Further, a direct metal-free C-H functionalization (azidation, alkoxylation, and hydroxylation) and selective oxidative cleavage of thus synthesized 2-benzylfurans are described for azido-, alkoxy-, hydroxyl-, amide-, and tetrazolyl adducts.
• Photochromism of 1,2-Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
  作者：Tadatsugu Yamaguchi、Masahiro Irie

  DOI：10.1002/ejoc.200600011

  日期：2006.7

  [reaction: see text] Photochromic diarylethene derivatives having benzofuran heteroaryl groups, bis(2-methyl-1-benzofuran-3-yl)perfluorocyclopentene and bis(2-butyl-1-benzofuran-3-yl)perfluorocyclopentene, were synthesized, and their photochromic performance was examined in hexane solution as well as in the single-crystalline phase. The compounds exhibited photochromic reactivity even in the single-crystalline

  [反应：见正文] 合成了具有苯并呋喃杂芳基的光致变色二芳基乙烯衍生物，双(2-甲基-1-苯并呋喃-3-基)全氟环戊烯和双(2-丁基-1-苯并呋喃-3-基)全氟环戊烯，并在己烷溶液和单晶相中检查了它们的光致变色性能。即使在单晶相中，这些化合物也表现出光致变色反应性。