1-butoxy-4-((E)-2-nitro-vinyl)-benzene | 936343-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-butoxy-4-((E)-2-nitro-vinyl)-benzene
• 英文别名: 1-nitro-2(-4-butoxyphenyl)ethene；1-butoxy-4-[(E)-2-nitroethenyl]benzene
• CAS: 936343-37-2
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: FYILCDGTZXDKGQ-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-butoxy-4-((E)-2-nitro-vinyl)-benzene 生成 N-hydroxy-2-(4-butoxyphenyl)ethylamine
  参考文献：
  名称：

  SUMMERS, JAMES B.;GUNN, BRUCE P.;MARTIN, JONATHAN G.;MARTIN, MICHAEL B.;M+, J. MED. CHEM., 31,(1988) N 10, C. 1960-1964

  摘要：

  DOI：
• 作为产物：
  描述：

  硝基甲烷 、 4-丁氧基苯甲醛 在 aminopropyl-functionalized mesoporous silica spheres 作用下， 反应 1.0h， 生成 1-butoxy-4-((E)-2-nitro-vinyl)-benzene
  参考文献：
  名称：

  使用氨基官能化的单分散介孔二氧化硅球作为模型催化剂，研究孔径对碱催化的影响

  摘要：

  使用氨基官能化的单分散介孔二氧化硅球（NH 2 -MMSS）研究了孔径对碱催化的影响。通过改变用于模板的表面活性剂以及合成条件，成功制备了具有相似粒径（560–600 nm）和不同孔径（0–2.66 nm）的NH 2 -MMSS。因为NH 2所获得的-MMSS具有相同的形状，粒径和中孔排列，催化活性的任何差异可基本上归因于其孔径的差异。我们将苯甲醛衍生物和硝基甲烷之间的硝基醛缩合反应作为碱催化反应。首次发现该反应主要在中孔内部进行（效率系数：0.63），并且通过改变反应物上取代基的类型和数量来影响NH 2 -MMSS的最佳孔径。另外，由于与其他类型的中孔二氧化硅相比，中孔的径向排列，发现NH 2 -MMSS是极好的催化剂。

  DOI：

  10.1016/j.jcat.2007.08.010

文献信息

• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• Heterocycles substituted pyridine derivatives and antifungal agent containing thereof
  申请人：Tanaka Keigo

  公开号：US20070105904A1

  公开（公告）日：2007-05-10

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a C 1-6 alkoxy C 1-6 alkyl group; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group or a di C 1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents a hydrogen atom or a halogen atom.

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所代表的化合物或其盐： 其中R1代表氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。
• [EN] HYDROXYPHENYL PYRROLE COMPOUNDS CONTAINING AN HYDROXAMIC ACID AS HDAC INHIBITORS AND MEDICINAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS HYDROXYPHÉNYL-PYRROLE CONTENANT UN ACIDE HYDROXAMIQUE, UTILISABLES EN TANT QU'INHIBITEURS DE HDAC ET LEURS APPLICATIONS MÉDICALES
  申请人：IKERCHEM S L

  公开号：WO2012136722A1

  公开（公告）日：2012-10-11

  The present invention refers to compounds derived from hydroxyphenyl 1H- pyrrole rings, which have the following formula (I): as well as to the procedure for their preparation, pharmaceutical compositions comprisingthe same and the use thereof for the treatment and/or prevention of a condition mediated by histone deacetylase such as cancer, hematological malignancies, autoimmune diseases, inflammatory diseases, diseases of the central nervous system (CNS) such as neurodegenerative diseases and psychiatric disorders, cardiovascular diseases, endocrine and metabolic disorders, by inhibiting histone deacetylases and the therapeutic use of biological processes related to the mentioned inhibition.

  本发明涉及源自羟基苯基1H-吡咯环的化合物，其具有以下结构式（I）：以及它们的制备方法，包括相同的药物组合物，以及它们用于治疗和/或预防由组蛋白去乙酰化酶介导的疾病，如癌症、血液系统恶性肿瘤、自身免疫疾病、炎症性疾病、中枢神经系统疾病（如神经退行性疾病和精神障碍）、心血管疾病、内分泌和代谢紊乱，通过抑制组蛋白去乙酰化酶和与所述抑制有关的生物过程的治疗用途。
• Hydroxyphenyl pyrrole compounds containing an hydroxamic acid as hdac inhibitors and medicinal applications thereof
  申请人：Ikerchem, S.L.

  公开号：EP2508510A1

  公开（公告）日：2012-10-10

  The present invention refers to compounds derived from hydroxyphenyl 1H-pyrrole rings, which have the following formula (I): as well as to the procedure for their preparation, pharmaceutical compositions comprising the same and the use thereof for the treatment and/or prevention of a condition mediated by histone deacetylase such as cancer, hematological malignancies, autoimmune diseases, inflammatory diseases, diseases of the central nervous system (CNS) such as neurodegenerative diseases and psychiatric disorders, cardiovascular diseases, endocrine and metabolic disorders, by inhibiting histone deacetylases and the therapeutic use of biological processes related to the mentioned inhibition.

  本发明涉及从羟基苯基1H-吡咯环衍生的化合物，其具有以下公式（I）：以及其制备方法，包括相同成分的药物组合物以及用于治疗和/或预防由组蛋白去乙酰化酶介导的病症，如癌症、血液恶性肿瘤、自身免疫疾病、炎症性疾病、中枢神经系统（CNS）疾病如神经退行性疾病和精神障碍、心血管疾病、内分泌和代谢紊乱，通过抑制组蛋白去乙酰化酶和与所述抑制相关的生物过程的治疗用途。
• FLUORINE-CONTAINING NITRILE-OXIDE COMPOUND
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20160002153A1

  公开（公告）日：2016-01-07

  A stable and easily producible compound of the formula (I): wherein R 1 represents a hydrocarbon group; and R 2 and R 3 represent each independently a hydrogen atom or a hydrocarbon group: provided that in at least one of R 1 , R 2 and R 3 , at least one hydrogen atoms are substituted by a fluorine atom, and each of R 1 , R 2 and R 3 is attached via its carbon atom to a carbon atom to which a nitrileoxide group is attached.

  化合物的化学式为(I)，其中R1代表一个碳氢基团; R2和R3分别表示氢原子或碳氢基团，但至少在R1、R2和R3中的一个中，至少有一个氢原子被氟原子取代，而且R1、R2和R3中的每一个都通过其碳原子连接到一个腈氧化物基团的碳原子上。该化合物稳定且易于制备。