allyl 2,6-difluorobenzene | 1028801-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: allyl 2,6-difluorobenzene
• 英文别名: 2-allyl-1,3-difluorobenzene；1,3-Difluoro-2-(prop-2-EN-1-YL)benzene；1,3-difluoro-2-prop-2-enylbenzene
• CAS: 1028801-61-7
• 化学式: C₉H₈F₂
• 分子量: 154.159
• InChiKey: CMPWTFUXUKMCAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  allyl 2,6-difluorobenzene 在 lithium perchlorate 、 间氯过氧苯甲酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 100.0h， 生成 1-(3,5-dichloro-2-fluoro-4-nitrophenyl)amino-3-(2,6-difluorophenyl)propan-2-ol
  参考文献：
  名称：

  光降解抗菌剂：合成和降解机制

  摘要：

  作为在使用后使抗菌剂失活的策略，我们设计了一系列乙醇胺衍生物，其中四种具有有趣的活性。乙醇胺部分促进光分解，这在潜在药物中将在使用后发生。本文介绍了这些化合物的合成制备和光失活的机理。

  DOI：

  10.1021/acs.joc.2c00681
• 作为产物：
  描述：

  allyl 2,6-difluorobenzoate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三对苯甲基膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以92%的产率得到allyl 2,6-difluorobenzene
  参考文献：
  名称：

  Allylarenes的合成通过烯丙基苯甲酸酯催化脱羧

  摘要：

  AbstractA catalyst system consisting of the palladium(0) complex Pd2(dba)3 and tri(p‐tolyl)phosphine was found to efficiently promote the decarboxylation of allyl benzoates with formation of allylarenes. This catalytic CO activation followed by extrusion of carbon dioxide and CC bond formation represents a sustainable alternative to traditional waste‐intensive cross‐couplings. The scope of the transformation includes allyl and cinnamyl esters of various ortho‐substituted benzoic acids. For particularly activated substrates, the palladium catalyst can optionally be replaced by an inexpensive nickel complex.magnified image

  DOI：

  10.1002/adsc.201400624

文献信息

• Benzimidazoles and analogs thereof as antivirals
  申请人：Swayze E. Eric

  公开号：US20050124638A1

  公开（公告）日：2005-06-09

  Provided are compounds of the formula: wherein R N1 is a substituent of formula G 1 -NX 1 X 2 , wherein G 1 is an optionally further substituted alkylene, which optionally forms, together with R N2 , a cyclic group, and each of X 1 and X 2 is independently H or an N-substituent, or X 1 and X 2 together form a heterocyclic ring, or X 1 together with G 1 forms a cyclic group and X 2 is H or an N-substituent; and each of Z 1 , Z 2 , Z 3 and Z 4 is H or a substituent, or two of Z 1 , Z 2 , Z 3 and Z 4 together form an optionally substituted ring, and further wherein at least one of Z 1 , Z 2 , Z 3 and Z 4 is other than H, and salts thereof, pharmaceutical compositions and methods of using the compounds. The compounds have antiviral activity.

  提供的化合物的公式为：其中RN1是公式G1-NX1X2的取代基，其中G1是可选择进一步取代的烷基，可选地与RN2一起形成环状基团，而X1和X2各自独立地为H或N取代基，或者X1和X2一起形成杂环环，或者X1与G1一起形成环状基团，而X2为H或N取代基；而Z1、Z2、Z3和Z4中的每一个都是H或取代基，或者Z1、Z2、Z3和Z4中的两个一起形成可选择取代的环，此外，至少有一个Z1、Z2、Z3和Z4不是H，以及其盐，药物组合物和使用该化合物的方法。这些化合物具有抗病毒活性。
• BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS
  申请人：Seth Punit P.

  公开号：US20100130513A1

  公开（公告）日：2010-05-27

  Provided are compounds of the formula: wherein R N1 is a substituent of formula G 1 -NX 1 X 2 , wherein G 1 is an optionally further substituted alkylene, which optionally forms, together with R N2 , a cyclic group, and each of X 1 and X 2 is independently H or an N-substituent, or X 1 and X 2 together form a heterocyclic ring, or X 1 together with G 1 forms a cyclic group and X 2 is H or an N-substituent; and each of Z 1 , Z 2 , Z 3 and Z 4 is H or a substituent, or two of Z 1 , Z 2 , Z 3 and Z 4 together form an optionally substituted ring, and further wherein at least one of Z 1 , Z 2 , Z 3 and Z 4 is other than H, and salts thereof, pharmaceutical compositions and methods of using the compounds. The compounds have antiviral activity.

  提供了以下式子的化合物：其中RN1是公式G1-NX1X2的取代基，其中G1是可选的进一步取代的烷基，它与RN2一起可选地形成环状基团，而且X1和X2分别是H或N取代基，或X1和X2一起形成杂环环，或X1与G1一起形成环状基团，而X2是H或N取代基; Z1、Z2、Z3和Z4中的每一个都是H或取代基，或Z1、Z2、Z3和Z4中的两个一起形成可选的取代环，而且至少Z1、Z2、Z3和Z4中的一个不是H，以及其盐、制药组合物和使用该化合物的方法。这些化合物具有抗病毒活性。
• Inhibitors of Ion Channels
  申请人：Marron Brian Edward

  公开号：US20130072471A1

  公开（公告）日：2013-03-21

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了在通过抑制电压门控钠通道中的钠离子流来治疗疾病方面有用的化合物、组合物和方法。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻断与所示条件的发生或复发相关的钠通道来实现。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病性或炎症性疼痛。
• SAR by MS:  Discovery of a New Class of RNA-Binding Small Molecules for the Hepatitis C Virus:  Internal Ribosome Entry Site IIA Subdomain
  作者：Punit P. Seth、Alycia Miyaji、Elizabeth A. Jefferson、Kristin A. Sannes-Lowery、Stephen A. Osgood、Stephanie S. Propp、Ray Ranken、Christian Massire、Rangarajan Sampath、David J. Ecker、Eric E. Swayze、Richard H. Griffey

  DOI：10.1021/jm050815o

  日期：2005.11.1

  A new class of small molecules that bind the HCV RNA IRES IIA subdomain with sub-micromolar affinity is reported. The benzimidazole 'hit' 1 with a K-D similar to 100 mu M to a 29-mer RNA model of Domain IIA was identified from a 180000-member library using mass spectrometry-based screening methods. Further MS-assisted SAR (structure-activity relationships) studies afforded benzimidazole derivatives with sub-micromolar binding affinity for the IIA RNA construct. The optimized benzimidazoles demonstrated activity in a cellular replicon assay at concentrations comparable to their K-D for the RNA target.
• Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：EP2797881A1

  公开（公告）日：2014-11-05