benzofuran-2-ylmethyl methanesulfonate | 1454785-14-8

• 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: benzofuran-2-ylmethyl methanesulfonate
• 英文别名: 1-Benzofuran-2-ylmethyl methanesulfonate；1-benzofuran-2-ylmethyl methanesulfonate
• CAS: 1454785-14-8
• 化学式: C₁₀H₁₀O₄S
• 分子量: 226.253
• InChiKey: JFYSNIDFYIQZRO-UHFFFAOYSA-N

物化性质

• 沸点：
  406.2±28.0 °C(predicted)
• 密度：
  1.358±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  64.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzofuran-2-ylmethyl methanesulfonate 以 甲苯 为溶剂， 生成 1-((benzofuran-2-yl)methyl)-3-(2-(naphthalen-2-yl)-2-oxoethyl)-1H-imidazol-3-ium bromide
  参考文献：
  名称：

  Synthesis and cytotoxic activity of novel hybrid compounds between 2-alkylbenzofuran and imidazole

  摘要：

  A series of novel hybrid compounds between 2-alkylbenzofuran and imidazole has been prepared and evaluated in vitro against a panel of human tumor cell lines. The results suggest that the existence of 2-methyl-imidazole or 2-ethyl-imidazole ring and substitution of the imidazolyl-3-position with a naphthylacyl or methoxyphenacyl group were vital for modulating cytotoxic activity. In particular, hybrid compound 29 was found to be the most potent compound against five strains human tumor cell lines and more active than cisplatin (DDP), while hybrid compound 26 was more selective toward colon carcinoma (SW480) and breast carcinoma (MCF-7) with IC50 value 44.0- and 36.8-fold more sensitive to DDP.

  DOI：

  10.1007/s00044-013-0760-8
• 作为产物：
  描述：

  苯并[b]呋喃-2-甲醛 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.25h， 生成 benzofuran-2-ylmethyl methanesulfonate
  参考文献：
  名称：

  新型1-（（苯并呋喃-2-基）甲基）-1H三唑衍生物的合成及生物活性

  摘要：

  合成了一系列新型的1-（（苯并呋喃-2-基）甲基）–1H-三唑衍生物，并在体外针对五种不同的人类肿瘤细胞系进行了测试。结果表明，苯并三唑或1,2,3-三唑环的存在以及用萘甲酰基，4-溴苯甲酰基或4-甲基苄基取代三唑基-3-位对于促进细胞毒性活性至关重要。发现化合物18、19、20和25分别具有针对HL-60，SMMC-7721和MCF-7细胞系的最有效活性。特别是，化合物20对HL-60和A549细胞系的选择性更高，IC 50值为0.62和1.60 µM。

  DOI：

  10.2174/1570180811666140423214501

文献信息

• Deoxygenation of Ethers To Form Carbon–Carbon Bonds via Nickel Catalysis
  作者：Zhi-Chao Cao、Zhang-Jie Shi

  DOI：10.1021/jacs.7b02326

  日期：2017.5.17

  In this article a successful protocol was developed to construct carbon-carbon bonds by the extrusion of the O atom of ethers via nickel catalysis in the presence of reductants. This methodology is featured as a highly economic route to construct sp3-sp3 C-C bonds through dual C-O activation of ethers with good functional group tolerance.

  在这篇文章中，开发了一个成功的协议，通过在还原剂的存在下通过镍催化挤出醚的 O 原子来构建碳 - 碳键。该方法是通过具有良好官能团耐受性的醚的双 CO 活化来构建 sp3-sp3 CC 键的高度经济途径。
• SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS
  申请人：Acucela Inc.

  公开号：US20160229831A1

  公开（公告）日：2016-08-11

  The present invention relates generally to compositions and methods for treating neurodegenerative diseases and disorders, particularly ophthalmic diseases and disorders. Provided herein are substituted 3-phenylpropylamine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compositions are useful for treating and preventing ophthalmic diseases and disorders, including age-related macular degeneration (AMD) and Stargardt's Disease.

  本发明涉及治疗神经退行性疾病和疾病的组合物和方法，特别是眼科疾病和疾病。本文提供了替代的3-苯基丙胺衍生物化合物和包含该化合物的药物组合物。所述组合物对于治疗和预防眼科疾病和疾病，包括年龄相关性黄斑变性（AMD）和Stargardt病具有用处。
• US20140275043A1
  申请人：——

  公开号：US20140275043A1

  公开（公告）日：2014-09-18
• US9133154B2
  申请人：——

  公开号：US9133154B2

  公开（公告）日：2015-09-15
• [EN] SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS<br/>[FR] DÉRIVÉS DE 3-PHÉNYLPROPYLAMINE SUBSTITUÉS POUR LE TRAITEMENT DES MALADIES ET DES TROUBLES OPHTALMIQUES
  申请人：ACUCELA INC

  公开号：WO2014164905A1

  公开（公告）日：2014-10-09

  The present invention relates generally to compositions and methods for treating neurodegenerative diseases and disorders, particularly ophthalmic diseases and disorders. Provided herein are substituted 3-phenylpropylamine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compositions are useful for treating and preventing ophthalmic diseases and disorders, including age-related macular degeneration (AMD) and Stargardt's Disease.