1-(5-苄基-2-呋喃基)乙酮 | 100396-88-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-苄基-2-呋喃基)乙酮
• 中文别名: 1-(5-苯甲基-2-呋喃基)乙酮
• 英文名称: 1-(5-benzylfuran-2-yl)ethanone
• 英文别名: 2-acetyl-5-benzylfuran；2-Acetyl-5-benzyl-furan；1-(5-Benzyl-2-furyl)ethanone
• CAS: 100396-88-1
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: BQKRHTUFOKREDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  S-pyridin-2-yl 5-benzylfuran-2-carbothioate 生成 1-(5-苄基-2-呋喃基)乙酮
  参考文献：
  名称：

  EP1186599

  摘要：

  公开号：

文献信息

• Palladium-Catalyzed Benzylation of Heterocyclic Aromatic Compounds
  作者：David Lapointe、Keith Fagnou

  DOI：10.1021/ol901689q

  日期：2009.9.17

  Broadly applicable palladium-catalyzed heteroarene benzylation reactions are described with a focus on the most challenging heterocyclic classes under traditional benzylation techniques such as sulfur-containing heterocycles and those bearing functional groups that would be incompatible with reactions requiring Lewis acids and/or strong bases.

  描述了广泛适用的钯催化的杂芳基苄基化反应，重点是传统苄基化技术下最具挑战性的杂环类，例如含硫杂环以及带有与需要路易斯酸和/或强碱的反应不相容的官能团的杂环。
• Antiviral agent
  申请人：——

  公开号：US20040229909A1

  公开（公告）日：2004-11-18

  The present invention provides an integrase inhibitor. The inventors have have found the following compound of formula (I) possessing an integrase inhibitory activity. 1 (wherein, R C and R D taken together with the neighboring carbon atoms form a ring which may be a condensed ring, Y is hydroxy, mercapto or amino; Z is O, S or NH; R A is a group shown by 2 (wherein, C ring is N-containing aromatic heterocycle) or the like)

  本发明提供了一种整合酶抑制剂。发明人发现以下化合物具有整合酶抑制活性，其化学式为(I)。其中，RC和RD与相邻的碳原子一起形成一个环，该环可以是一个缩合环，Y是羟基，巯基或氨基; Z是O，S或NH; RA是由2所示的基团（其中，C环是含N的芳香杂环）或类似基团。
• Heteroaromatic derivatives having an inhibitory activity against HIV integrase
  申请人：——

  公开号：US20040002485A1

  公开（公告）日：2004-01-01

  A compound of the formula (I): 1 wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is —COOR A wherein R A is hydrogen or ester residue, —CONR B R C wherein R B and R C each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A 1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A 1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  式(I)的化合物：其中X为羟基，保护羟基或可选取代的氨基；Y为—COORA，其中RA为氢或酯基残基，—CONRBRC，其中RB和RC各自独立地为氢或酰胺基残基，可选取代的芳基或可选取代的杂芳基；且A1为可选取代的杂芳基；但其中Y和/或A1为可选取代的吲哚-3-基的化合物被排除，其互变异构体、前药、药物可接受的盐或水合物具有对整合酶的抑制活性。
• AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1142872A1

  公开（公告）日：2001-10-10

  A compound of the formula (I): wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is COORA wherein RA is hydrogen or ester residue, -CONRBRC wherein RB and RC each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  一种式（I）化合物： 其中 X 是羟基、受保护的羟基或任选取代的氨基；Y 是 COORA（其中 RA 是氢或酯残基）、-CONRBRC（其中 RB 和 RC 各自独立地是氢或酰胺残基）、任选取代的芳基或任选取代的杂芳基；以及 A1 是任选取代的杂芳基；条件是其中 Y 和/或 A1 是任选取代的吲哚-3-基的化合物除外，其同分异构体、原药、药学上可接受的盐或水合物对整合酶具有抑制活性。
• NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1186599A1

  公开（公告）日：2002-03-13

  The present invention provides industrial and commercial processes for the preparation of 2-acyl-5-benzylfuran derivatives, 1,2,4-triazole-3-carboxylic acid ester derivatives and propenone derivatives having anti-HIV activities and usuful crystals thereof. wherein R1, R2 and R4 each is independently hydrogen or the like; A is CR6 or N; R6 is hydrogen or the like; Q is a protecting group; and L is a leaving group.

  本发明提供了制备具有抗 HIV 活性的 2-酰基-5-苄基呋喃衍生物、1,2,4-三唑-3-羧酸酯衍生物和丙 烯酮衍生物及其有用晶体的工业和商业工艺。 其中 R1、R2 和 R4 各自独立地为氢或类似物；A 为 CR6 或 N；R6 为氢或类似物；Q 为保护基团；L 为离去基团。