2-furan-3-yl-2-methyl-[1,3]dioxolane | 29182-10-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-furan-3-yl-2-methyl-[1,3]dioxolane
• 英文别名: 2-Furan-3-yl-2-methyl[1,3]-dioxolane；2-(furan-3-yl)-2-methyl-1,3-dioxolane
• CAS: 29182-10-3
• 化学式: C₈H₁₀O₃
• 分子量: 154.166
• InChiKey: YMWWCOGCXRQFNX-UHFFFAOYSA-N

物化性质

• 沸点：
  206.8±30.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-furan-3-yl-2-methyl-[1,3]dioxolane 在 正丁基锂 、 甲酸 作用下， 反应 18.0h， 生成 1-[2-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-furan-3-yl]-ethanone
  参考文献：
  名称：

  Antimuscarinic 3-(2-Furanyl)quinuclidin-2-ene Derivatives:  Synthesis and Structure−Activity Relationships

  摘要：

  A series of 25 derivatives of the muscarinic antagonist 3-(2-furanyl)quinuclidin-2-ene (4) was synthesized and evaluated for muscarinic and antimuscarinic properties. Substitution at all three positions of the furan ring has been investigated. The affinities of the new compounds were determined by competition experiments in homogenates of cerebral cortex, heart, parotid gland, and urinary bladder from guinea pigs using (-)-[H-3]-3-quinuclidinyl benzilate as the radioligand, and the antimuscarinic potency was determined in a functional assay on isolated guinea pig urinary bladder using carbachol as the agonist. Several of the novel derivatives displayed high muscarinic affinities. Whereas the affinity of lead compound 4 for cortical muscarinic receptors is moderate (K-i 300 nM), it is much higher for the 6-methyl (49; K-i = 12 nM), 5-ethyl (52; K-i = 7.4 nM), 5-bromo (33; K-i = 6.4 nM), and 3-phenyl (49; K-i = 2.8 nM) substituted derivatives. The substituent-induced increases in affinity do not appear to be additive as a 5-bromo-3-phenyl (54), and a 5-methyl-3-phenyl (55) substitution pattern only slightly increases affinity (K-i = 1.55 and 2.39 nM, respectively). The conformational preferences of the 3-phenyl (49) and 5-phenyl (51) derivatives were studied by X-ray crystallography and molecular mechanics calculations. Because of the observed high affinity of 49, a series of 16 meta-and para-substituted analogues of 49 was synthesized and tested. derivative (68) exhibited more than 10-fold improvement in affinity as compared to 49. The structure-activity relationships of the new series are well described with QSAR and CoMFA models.

  DOI：

  10.1021/jm970346t
• 作为产物：
  描述：

  1-呋喃-3-乙酮 、 乙二醇 在 对甲苯磺酸 作用下， 以 水 、 苯 为溶剂， 反应 16.0h， 以94%的产率得到2-furan-3-yl-2-methyl-[1,3]dioxolane
  参考文献：
  名称：

  ANTIVIRAL AGENT

  摘要：

  公开号：

  EP1422218B1

文献信息

• 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。
• INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES
  申请人：Lyga John W.

  公开号：US20090082203A1

  公开（公告）日：2009-03-26

  It has now been found that certain novel bis(substituted phenyl)-1 [4-(saturated heterocyclyl-substituted)phenyl-methyl](4-piperidyl)}methane derivatives have provided unexpected insecticidal activity. These compounds are represented by formula (I); where R through R 15 , m, n, s, A, B, D and W are defined herein. In addition, compositions comprising an insecticidally effective amount of at least one compound of formula (I), and optionally, an effective amount of at least one of a second compound, with at least one insecticidally compatible carrier are also disclosed; along with methods of controlling insects comprising applying said compositions to a locus where insects are present or are expected to be present.

  现在已经发现，某些新型的双（取代苯基）-1 [4-（饱和杂环取代）苯基甲基](4-哌啶基)}甲烷衍生物提供了意想不到的杀虫活性。这些化合物由式（I）表示; 其中R到R15，m，n，s，A，B，D和W在此定义。此外，本文还披露了包含式（I）中至少一种化合物的杀虫有效量和可选地至少一种第二化合物的有效量的组合物，其中至少包含一种杀虫剂兼容载体; 以及控制昆虫的方法，包括将所述组合物应用于昆虫存在或预计存在的地点。
• INHIBITEURS NLRP3 POUR LE TRAITEMENT DES PATHOLOGIES CUTANÉES INFLAMMATOIRES
  申请人：Galderma Research & Development

  公开号：EP3407877B1

  公开（公告）日：2020-03-04
• US9572813B2
  申请人：——

  公开号：US9572813B2

  公开（公告）日：2017-02-21
• ANTIVIRAL AGENT
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1422218B1

  公开（公告）日：2012-03-21