2-Cyano-3-hydroxy-5-methyl-thiophen | 33688-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-Cyano-3-hydroxy-5-methyl-thiophen
• 英文别名: 3-hydroxy-5-methyl-thiophene-2-carbonitrile；2-cyano-3-hydroxy-5-methyl-thiophene；3-hydroxy-5-methylthiophene-2-carbonitrile
• CAS: 33688-18-5
• 化学式: C₆H₅NOS
• 分子量: 139.178
• InChiKey: UZDLWOZHCZOAIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Cyano-3-hydroxy-5-methyl-thiophen 在 TEA 、 sodium ethanolate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 1-(3-Amino-5-methyl-thieno[3,2-b]furan-2-yl)-ethanone
  参考文献：
  名称：

  Gewald, K.; Bellmann, P., Journal fur praktische Chemie (Leipzig 1954), 1983, vol. 325, # 3, p. 457 - 462

  摘要：

  DOI：

文献信息

• Novel 11-desoxy-prostaglandin F.sub.2 derivatives
  申请人：Roussel Uclaf

  公开号：US04119727A1

  公开（公告）日：1978-10-10

  Novel 11-desoxy-prostaglandin F.sub.2 derivatives of the formula ##STR1## wherein R is selected from the group consisting of hydrogen, alkyl of 1 to 4 carbon atoms, an alkali metal, an equivalent of an alkaline earth metal, magnesium or organic amine base, R.sub.1 and R.sub.2 are individually seleced from the group consisting of hydrogen and methyl and X is selected from the group consisting of ##STR2## and a 5 to 6 membered heterocycle optionally substituted with at least one member of the group consisting of halogen, --CN and alkyl of 1 to 5 carbon atoms and X.sup.1 is a 6 member heterocycle with the wavy lines indicating that the hydroxy may be in either one of the two possible .alpha. and .beta. positions having hypotensive activity and process for their preparation.

  11-去氧前列腺素F.sub.2的衍生物的新颖结构式如下：其中R从氢、1至4个碳原子的烷基、碱金属、碱土金属的等效物、镁或有机胺基中选择，R.sub.1和R.sub.2分别从氢和甲基中选择，X从##STR2##和一个5至6成员杂环中选择，该杂环可以选择至少一个卤素、--CN和1至5个碳原子的烷基中的一种进行取代，X.sup.1是一个6成员杂环，其中波浪线表示羟基可能位于两种可能的.alpha.和.beta.位置中的任意一种，具有降压活性，并且具有其制备方法。
• Novel 3-(phosphoryloxy) and (phosphonyloxy)-thiophenes
  申请人：Roussel Uclaf

  公开号：US04128562A1

  公开（公告）日：1978-12-05

  Novel 3-(phosphoryloxy) or (phosphonyloxy)-thiophenes of the formula ##STR1## wherein R is alkyl of 1 to 4 carbon atoms, R.sub.1 is selected from the group consisting of alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms and ##STR2## wherein R' and R" are individually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms, R.sub.2 is selected from the group consisting of cyano, alkoxy carbonyl of 2 to 4 carbon atoms and ##STR3## wherein Z is selected from the group consisting of phenyl and alkyl of 1 to 4 carbon atoms, R.sub.3 is selected from the group consisting of alkyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, alkylthio of 1 to 6 carbon atoms, phenyl, morpholino, piperidinyl and alkoxy carbonyl of 2 to 4 carbon atoms and X is selected from the group consisting of oxygen and sulfur having pesticidal properties and their preparation.

  化合物的名称为Novel 3-(phosphoryloxy)或(phosphonyloxy)-噻吩，化学式为##STR1##其中R为1到4个碳原子的烷基，R.sub.1选择自1到4个碳原子的烷基、1到4个碳原子的烷氧基和##STR2##其中R'和R"分别选择自氢和1到4个碳原子的烷基，R.sub.2选择自氰基、2到4个碳原子的烷氧羰基和##STR3##其中Z选择自苯基和1到4个碳原子的烷基，R.sub.3选择自1到6个碳原子的烷基、1到6个碳原子的烷氧基、1到6个碳原子的烷硫基、苯基、吗啉基、哌啶基和2到4个碳原子的烷氧羰基，X选择自具有杀虫性能的氧和硫，以及它们的制备方法。
• 3-(Phosphoryloxy) and (phosphonyloxy)-thiophenes
  申请人：Roussel Uclaf

  公开号：US04155996A1

  公开（公告）日：1979-05-22

  Novel 3-(phosphoryloxy) or (phosphonyloxy)-thiophenes of the formula ##STR1## wherein R is alkyl of 1 to 4 carbon atoms, R.sub.1 is selected from the group consisting of alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms and ##STR2## wherein R' and R" are individually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms, R.sub.2 is selected from the group consisting of cyano, alkoxy carbonyl of 2 to 4 carbon atoms and ##STR3## wherein Z is selected from the group consisting of phenyl and alkyl of 1 to 4 carbon atoms, R.sub.3 is selected from the group consisting of alkyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, alkylthio of 1 to 6 carbon atoms, phenyl, morpholino, piperidinyl and alkoxy carbonyl of 2 to 4 carbon atoms and X is selected from the group consisting of oxygen and sulfur having pesticidal properties and their preparation.

  式为##STR1##的新型3-(磷酸酯氧基)或(膦酸酯氧基)噻吩，其中R是1至4个碳原子的烷基，R.sub.1选择自由基，包括1至4个碳原子的烷基，1至4个碳原子的烷氧基和##STR2##其中R'和R"各自选择自由基，包括氢和1至4个碳原子的烷基，R.sub.2选择自由基，包括氰基，2至4个碳原子的烷氧基和##STR3##其中Z选择自由基，包括苯基和1至4个碳原子的烷基，R.sub.3选择自由基，包括1至6个碳原子的烷基，1至6个碳原子的烷氧基，1至6个碳原子的烷硫基，苯环，吗啡环，哌啶环和2至4个碳原子的烷氧基，X选择自由基，包括具有杀虫剂特性的氧和硫，以及它们的制备。
• US4119727A
  申请人：——

  公开号：US4119727A

  公开（公告）日：1978-10-10
• US4128562A
  申请人：——

  公开号：US4128562A

  公开（公告）日：1978-12-05