4-(4-氟苯基)-1,3-噻唑-2(3H)-酮 | 834885-06-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-氟苯基)-1,3-噻唑-2(3H)-酮
• 英文名称: 4-(4-fluorophenyl)-2-oxo-thiazole
• 英文别名: 4-(4-fluorophenyl)-2,3-dihydro-2-oxothiazole；4-(4-fluorophenyl)thiazol-2(3H)-one；4-(4-Fluorophenyl)thiazol-2-ol；4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
• CAS: 834885-06-2
• 化学式: C₉H₆FNOS
• mdl: MFCD07776892
• 分子量: 195.217
• InChiKey: VDFFNDUNESKYCU-UHFFFAOYSA-N

物化性质

• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  1-(2-bromomethylphenyl)-4-methyl-1, 4-dihydrotetrazole-5-one 、 4-(4-氟苯基)-1,3-噻唑-2(3H)-酮 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以0.19 g的产率得到2-{[1-(4,5-dihydro-4-methyl-5-oxo-1H-tetrazole-1-yl)phenyl-2-yl]methyloxy}-4-(4-fluorophenyl)thiazole
  参考文献：
  名称：

  [EN] TETRAZOLINONE COMPOUNDS AND ITS USE
  [FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION

  摘要：

  本发明提供了一种具有优异杀虫效果的化合物。式（1）中的四氮杂酮化合物：[其中，R1代表一个C6-C16芳基，一个C1-C12烷基，一个C3-C12环烷基或一个金刚烷基等，每个都可以选择性地被取代；R2代表一个氢原子，一个C1-C12烷基或一个卤素原子等；R4和R5分别独立地代表一个氢原子或一个C1-C3烷基等；R6、R7、R8和R9分别独立地代表一个氢原子，一个卤素原子，一个C1-C12烷基，一个C1-C12卤代烷基，一个C2-C12烯基，一个C3-C12环烷基，一个C1-C12烷氧基或一个C1-C12卤代烷氧基等；X和Y分别独立地代表一个硫原子或一个氧原子；Q代表一个氧原子或一个硫原子；R10代表一个C1-C6烷基等]对害虫有极佳的控制效果。

  公开号：

  WO2013162077A1
• 作为产物：
  描述：

  4-氟硫氰酸苯乙酯 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 以113 mg的产率得到4-(4-氟苯基)-1,3-噻唑-2(3H)-酮
  参考文献：
  名称：

  末端炔烃1，，3-芳基二烯的光敏氧硫氰化反应及其一锅法转化为2-羟基4-取代的芳基噻唑

  摘要：

  从活化的末端芳基炔烃和芳基1,3-共轭二烯实现了区域选择性可见光诱导的芳基α-硫氰基酮/硫氰基醇的合成。在有机光催化剂和NH 4 SCN的存在下，这种温和且非金属的氧化仅由良性环境空气驱动。还以5 mmol的规模证明了该方案，可以高收率合成潜在的治疗性2-羟基4-取代的芳基噻唑，表明其可大规模应用。

  DOI：

  10.1039/c9ob00054b

文献信息

• Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase
  申请人：sanofi-aventis

  公开号：EP1939181A1

  公开（公告）日：2008-07-02

  The present invention relates to heteroaryl-substituted carboxamides of the formula I, in which Het, A, X, R1, R2 and R3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.

  本发明涉及公式I的杂环取代羧酰胺，其中Het、A、X、R1、R2和R3具有索引中指示的含义，这些化合物调节内皮一氧化氮（NO）合酶的转录，并且是有价值的药理活性化合物。具体地，公式I的化合物上调内皮一氧化氮合酶酶的表达，并可应用于需要增加该酶的表达或增加NO水平或正常化降低的NO水平的情况。该发明还涉及公式I化合物的制备方法，包括它们的药物组合物，以及公式I化合物用于制造刺激内皮一氧化氮合酶表达或治疗各种疾病的药物的用途，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心脏功能不全等。
• 四唑啉酮化合物及其用途
  申请人：住友化学株式会社

  公开号：CN105636955B

  公开（公告）日：2018-01-12

  本发明提供了一种由式(1)表示的四唑啉酮化合物(其中E表示以下基团E16等；Y表示‑O‑CH2‑等；Q表示以下基团Q46等；R8表示C1‑C6烷基；R3、R30和R31可以相同或不同并且表示氢原子等；A表示任选地具有一个或多个选自P1组的原子或基团的C6‑C16芳基等；R5表示C1‑C3烷基；并且X表示氧原子或硫原子)，并且该四唑啉酮化合物具有优异的防治有害生物的活性。
• HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS
  申请人：STROBEL Hartmut

  公开号：US20100016337A1

  公开（公告）日：2010-01-21

  The present invention relates to heteroaryl-substituted carboxamides of the formula I, in which Het, A, X, R 1 , R 2 and R 3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.

  本发明涉及公式I的杂环取代羧酰胺，其中Het、A、X、R1、R2和R3在权利要求中所示，它们调节内皮型一氧化氮（NO）合酶的转录，并且是有价值的药理活性化合物。具体来说，公式I的化合物上调内皮型一氧化氮合酶的表达，并可应用于需要增加该酶的表达或增加NO水平或恢复降低的NO水平的情况。本发明还涉及制备公式I化合物的方法，包括它们的制药组成物，以及公式I化合物用于制造用于刺激内皮型NO合酶表达或治疗各种疾病的药物，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心力衰竭等。
• Heteroaryl-substituted carboxamides and their use as pharmaceuticals
  申请人：Sanofi-Aventis

  公开号：US08188291B2

  公开（公告）日：2012-05-29

  The present invention relates to heteroaryl-substituted carboxamides of the formula I, in which Het, A, X, R1, R2 and R3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.

  本发明涉及式I的杂环取代羧酰胺，其中Het，A，X，R1，R2和R3具有所述索权要求中指示的含义，这些化合物调节内皮型一氧化氮（NO）合酶的转录，并且是有价值的药理活性化合物。具体而言，式I的化合物上调内皮型NO合酶的表达，并可应用于需要增加该酶的表达或增加NO水平或正常化降低的NO水平的情况下。本发明还涉及制备式I的化合物的方法，包括它们的制药组合物以及使用式I的化合物制造用于刺激内皮型NO合酶表达或治疗各种疾病的药物，包括心血管疾病如动脉粥样硬化，血栓形成，冠状动脉疾病，高血压和心脏功能不全等。
• TETRAZOLINONE COMPOUNDS AND ITS USE
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150031733A1

  公开（公告）日：2015-01-29

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein, R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, a C3-C12 cycloalkyl group or an adamantyl group, etc., which each optionally be substituted; R2 represents a hydrogen atom, an C1-C12 alkyl group, or a halogen atom, etc.; R4 and R5 represent independently of each other a hydrogen atom or an C1-C3 alkyl group, etc.; R6, R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, an C1-C12 alkyl group, a C1-C12 haloalkyl group, an C2-C12 alkenyl group, a C3-C12 cycloalkyl group, an C1-C12 alkoxy group or a C1-C12 haloalkoxy group, etc.; X and Y represent independently of each other a sulfur atom or an oxygen atom; Q represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫功效的化合物。公式（1）的四唑酮化合物：[其中，R1代表C6-C16芳基，C1-C12烷基，C3-C12环烷基或金刚烷基等，每个都可以选择性地被取代；R2代表氢原子，C1-C12烷基或卤素原子等；R4和R5分别独立地代表氢原子或C1-C3烷基等；R6、R7、R8和R9分别独立地代表氢原子、卤素原子、C1-C12烷基、C1-C12卤代烷基、C2-C12烯基、C3-C12环烷基、C1-C12烷氧基或C1-C12卤代烷氧基等；X和Y分别独立地代表硫原子或氧原子；Q代表氧原子或硫原子；R10代表C1-C6烷基等]在控制害虫方面表现出优异的效果。