5-ethyl-3-methylbenzofuran | 870466-96-9

• 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: 5-ethyl-3-methylbenzofuran
• 英文别名: 5-ethyl-3-methyl-1-benzofuran
• CAS: 870466-96-9
• 化学式: C₁₁H₁₂O
• 分子量: 160.216
• InChiKey: FUYYRUSQAGOCIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  5-ethyl-3-methylbenzofuran 在 三氯化铝 、 甲酸 、 RhCl[(R,R)-TsDPEN](C5Me5) 、 三乙胺 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 反应 124.0h， 生成 (S)-(+)-2-chloro-1-(5-ethyl-3-methylbenzofuran-2-yl)ethanol
  参考文献：
  名称：

  Enantioselective reduction of benzofuryl halomethyl ketones: asymmetric synthesis of (R)-bufuralol

  摘要：

  Enantioselective reduction of representative 2-(bromoacetyl)- and 2-(chloroacetyl)benzofurans with (-)-B-chloro-diisopinocampheylborane and by transfer hydrogenation with formic acid/triethylamine in the presence of RhCl[R,R-TsD-PEN](C5Me5) is described. Transfer hydrogenation of the chloro ketones produced the corresponding chlorohydrins of >= 95% ee. (R)-Bufuralol of 96% ce was prepared from the corresponding chloro ketone by transfer hydrogenation-substitution. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.08.012
• 作为产物：
  描述：

  5-ethyl-3-methylbenzofuran-2-carboxylic acid 在 喹啉 、 铜 作用下， 反应 8.0h， 生成 5-ethyl-3-methylbenzofuran
  参考文献：
  名称：

  Enantioselective reduction of benzofuryl halomethyl ketones: asymmetric synthesis of (R)-bufuralol

  摘要：

  Enantioselective reduction of representative 2-(bromoacetyl)- and 2-(chloroacetyl)benzofurans with (-)-B-chloro-diisopinocampheylborane and by transfer hydrogenation with formic acid/triethylamine in the presence of RhCl[R,R-TsD-PEN](C5Me5) is described. Transfer hydrogenation of the chloro ketones produced the corresponding chlorohydrins of >= 95% ee. (R)-Bufuralol of 96% ce was prepared from the corresponding chloro ketone by transfer hydrogenation-substitution. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.08.012

文献信息

• BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS
  申请人：Mc Allister Andrès

  公开号：US20130012518A1

  公开（公告）日：2013-01-10

  The present invention relates to substituted aromatic bicyclic compounds containing pyrimidine and pyridine rings of formula (I) having the structure as well as pharmaceutically acceptable salts thereof. The compounds of the present invention are useful as tyrosine kinase inhibitors, preferably SRC family kinases (SFKs) inhibitors, in particular as multi SFK/JAK. kinases inhibitors and even preferably as dual c-SRC/JAK kinases inhibitors, thereby inhibiting the STAT3 activation and therefore abnormal growth of particular cell types. Notably, the compounds of the present invention are useful for the treatment or inhibition of certain diseases that are the result of deregulation of STAT3.

  本发明涉及含有嘧啶和吡啶环的取代芳香族双环化合物的公式(I)，以及其药学上可接受的盐。本发明的化合物可用作酪氨酸激酶抑制剂，优选为SRC家族激酶（SFKs）抑制剂，特别是作为多种SFK/JAK激酶抑制剂，甚至更优选地作为双重c-SRC/JAK激酶抑制剂，从而抑制STAT3的激活，因此抑制特定细胞类型的异常生长。值得注意的是，本发明的化合物可用于治疗或抑制某些由STAT3失调引起的疾病。
• NOVEL ORGANOLEPTIC COMPOUNDS
  申请人：International Flavors & Fragrances Inc.

  公开号：EP3124478A1

  公开（公告）日：2017-02-01

  The present invention relates to a novel compound and its use as a fragrance material.

  本发明涉及一种新型化合物及其作为香料的用途。