ethyl 2-phenoxy-thiazole-5-carboxylate | 56355-51-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-phenoxy-thiazole-5-carboxylate
• 英文别名: ethyl 2-phenoxy-5-thiazolecarboxylate；2-phenoxy-thiazole-5-carboxylic acid ethyl ester；ethyl 2-phenoxy-1,3-thiazole-5-carboxylate
• CAS: 56355-51-2
• 化学式: C₁₂H₁₁NO₃S
• 分子量: 249.29
• InChiKey: UGZLGCRHVXYZGB-UHFFFAOYSA-N

物化性质

• 沸点：
  365.3±34.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-phenoxy-thiazole-5-carboxylate 生成 (2-phenoxy-5-thiazolyl)-methanol
  参考文献：
  名称：

  NEZOT, F.;GIRAULT, P.;TESSIER, J.;MARTEL, J.

  摘要：

  DOI：
• 作为产物：
  描述：

  乙基5-氧代-2,5-二氢-1,2-恶唑-4-羧酸酯 在 吡啶 作用下， 以 丙酮 、 苯 为溶剂， 反应 24.42h， 生成 ethyl 2-phenoxy-thiazole-5-carboxylate
  参考文献：
  名称：

  5-氧二氢异恶唑的化学性质。19.部分1 Thesynthesis和光解的N- thioacylisoxazol -5（2H） -酮

  摘要：

  5-氧代二氢异喹嗪与硫酰氯反应，生成N-硫酰异喹嗪-5(2H)-酮，这些化合物在光化学条件下失去二氧化碳，并经历亚胺碳烯的分子内环化反应，形成噻唑。然而，在某些情况下，失去二氧化碳的同时伴随失去硫，生成1,3-噁嗪-6-酮。

  DOI：

  10.1039/a700646b

文献信息

• Novel cyclopropane carboxylic acid derivatives
  申请人：Roussel Uclaf

  公开号：US04833163A1

  公开（公告）日：1989-05-23

  Novel isomers and mixtures thereof of cyclopropane carboxylic acid derivatives with a 3-unsaturated side chain of Z geometry of the formula ##STR1## wherein A' is ##STR2## wherein R.sub.13 is selected from the group consisting of hydrogen and CN and R is an optionally unsaturated alkyl of 1 to 18 carbon atoms having insecticidal and nematocidal activity as well as plant and animal acaricidal activity and their preparation.

  环丙烷羧酸衍生物的新异构体及其混合物，具有Z几何构型的3-不饱和侧链，其通式如上所示，其中A'为如上所示的结构，其中R13选自氢和氰基，R为1至18个碳原子的可选不饱和烷基，具有杀虫、杀线虫、植物和动物杀螨活性及其制备方法。
• Heterocyclic alcohols and their derivatives
  申请人：Roussel Uclaf

  公开号：US04501894A1

  公开（公告）日：1985-02-26

  Novel heterocyclic compounds of the formula ##STR1## wherein X is selected from the group consisting of chlorine, bromine, iodine and --OH, W is selected from the group consisting of hydrogen and --CN, Z is selected from the group consisting of --CH.sub.2 -- and --O-- attached to the carbon atom included between a nitrogen and the sulfur atom of Y and Y is selected from the group consisting of thiazolyl or thiadiazolyl connected to ##STR2## at one of its available positions except for (2-benzyl-4 and 5-thiazolyl) methanol and .alpha.-cyano-(2-benzyl-5-thiazolyl)-methanol and the compounds wherein X is halogen when W is --CN whose esters have insecticidal activity.

  该式的新颖杂环化合物为 ##STR1## 其中 X 从氯、溴、碘和—OH 组成的群体中选择，W 从氢和—CN 组成的群体中选择，Z 从连接到 Y 的氮和硫原子之间包括的碳原子上的—CH.sub.2—和—O—组成的群体中选择，Y 从连接到 ##STR2## 的噻唑基或噻二唑基中选择，除了(2-苄基-4和5-噻唑基)甲醇和.alpha.-氰基-(2-苄基-5-噻唑基)-甲醇以及当 W 为—CN 时 X 是卤素的化合物，其酯具有杀虫活性。
• Insecticidal esters
  申请人：Roussel Uclaf

  公开号：US04450169A1

  公开（公告）日：1984-05-22

  Novel esters of the formula ##STR1## wherein R is selected from the group consisting of ##STR2## W is selected from the group consisting of hydrogen and --CN, Z is selected from the group consisting of --CH.sub.2 -- and --O--, and is attached to a carbon atom included between a nitrogen and the sulfur atom of Y and Y is selected from the group consisting of thiazolyl or thiadiazolyl connected to ##STR3## at one of its available positions.

  公式为##STR1##的新型酯类，其中R从##STR2##组中选择，W从氢和--CN组中选择，Z从--CH.sub.2--和--O--组中选择，并附加到Y的氮和硫原子之间包括的碳原子上，Y从连接到##STR3##的噻唑基或噻二唑基组中选择其可用位置之一。
• Thiazole derivatives of benzoic and phenylalkanoic acids
  申请人：Shionogi & Co., Ltd.

  公开号：US04025528A1

  公开（公告）日：1977-05-24

  Thiazole derivatives represented by the general formula: ##STR1## wherein A is oxygen, sulfur, imino, or NR.sub.3, wherein R.sub.3 is C.sub.1.sub.-5 alkyl, C.sub.2.sub.-5 alkenyl, C.sub.3.sub.-5 alkynyl, C.sub.3.sub.-6 cycloalkyl-C.sub.1.sub.-3 alkyl or C.sub.7.sub.-8 aralkyl; R.sub.1 is hydrogen, C.sub.1.sub.-5 alkyl, C.sub.2.sub.-5 alkenyl, C.sub.3.sub.-5 alkynyl, C.sub.3.sub.-6 cycloalkyl-C.sub.1.sub.-3 alkyl or C.sub.7.sub.- 8 aralkyl; R.sub.2 is hydroxy, C.sub.1.sub.-5 alkoxy or OM, wherein M is alkali metal, or one equivalent of alkaline earth metal, cupric or aluminum cation; n is an integer of 0 or 1; X.sub.1 and X.sub.2 are independently hydrogen or C.sub.1.sub.-5 alkyl; Y.sub.1 and Y.sub.2 are independently hydrogen, halogen, C.sub.1.sub.-5 alkyl, C.sub.1.sub.-5 alkoxy or trifluoromethyl; and the group ##STR2## is linked to one of the meta or para positions of the benzene ring A, n is not 0 when A is imino and --CH.sub.2 --COR.sub.2 does not substitute the thiazole ring when A is imino, being useful as anti-inflammatory, anti-rheumatic, analgesic or anti-lipemia agents.

  通式表示的噻唑衍生物：##STR1## 其中A是氧、硫、亚胺或NR.sub.3，其中R.sub.3是C.sub.1.sub.-5烷基、C.sub.2.sub.-5烯基、C.sub.3.sub.-5炔基、C.sub.3.sub.-6环烷基-C.sub.1.sub.-3烷基或C.sub.7.sub.-8芳基烷基；R.sub.1是氢、C.sub.1.sub.-5烷基、C.sub.2.sub.-5烯基、C.sub.3.sub.-5炔基、C.sub.3.sub.-6环烷基-C.sub.1.sub.-3烷基或C.sub.7.sub.-8芳基烷基；R.sub.2是羟基、C.sub.1.sub.-5烷氧基或OM，其中M是碱金属或一当量的碱土金属、铜离子或铝离子；n是0或1的整数；X.sub.1和X.sub.2独立地是氢或C.sub.1.sub.-5烷基；Y.sub.1和Y.sub.2独立地是氢、卤素、C.sub.1.sub.-5烷基、C.sub.1.sub.-5烷氧基或三氟甲基；以及##STR2## 这个基团连接到苯环A的meta或para位置之一，当A是亚胺时，n不是0，当A是亚胺时，--CH.sub.2 --COR.sub.2不替换噻唑环，这些化合物可用作抗炎、抗风湿、止痛或抗脂质血症剂。
• Thiazole derivatives
  申请人：Shionogi & Co., Ltd.

  公开号：US04077968A1

  公开（公告）日：1978-03-07

  Thiazole derivatives represented by the general formula: ##STR1## wherein A is oxygen, sulfur, imino, or NR.sub.3, wherein R.sub.3 is C.sub.1-5 alkyl, C.sub.2-5 alkenyl, C.sub.3-5 alkynyl, C.sub.3-6 cycloalkyl-C.sub.1-3 alkyl or C.sub.7-8 aralkyl; R.sub.1 is hydrogen, C.sub.1-5 alkyl, C.sub.2-5 alkenyl, C.sub.3-5 alkynyl, C.sub.3-6 cycloalkyl-C.sub.1-3 alkyl or C.sub.7-8 aralkyl; R.sub.2 is hydroxy, C.sub.1-5 alkoxy or OM, wherein M is alkali metal, or one equivalent of alkaline earth metal, cupric or aluminum cation; n is an integer of 0 or 1; X.sub.1 and X.sub.2 are independently hydrogen or C.sub.1-5 alkyl; Y.sub.1 and Y.sub.2 are independently hydrogen, halogen, C.sub.1-5 alkyl, C.sub.1-5 alkoxy or trifluoromethyl; and the group ##STR2## is linked to one of the meta or para positions of the benzene ring A, n is not 0 when A is imino and --CH.sub.2 --COR.sub.2 does not substitute the thiazole ring when A is imino, being useful as anti-inflammatory, anti-rheumatic, analgesic or anti-lipemia agents.

  通式表示的噻唑衍生物：##STR1## 其中A为氧、硫、亚胺或NR.sub.3，其中R.sub.3为C.sub.1-5烷基、C.sub.2-5烯基、C.sub.3-5炔基、C.sub.3-6环烷基-C.sub.1-3烷基或C.sub.7-8芳基烷基；R.sub.1为氢、C.sub.1-5烷基、C.sub.2-5烯基、C.sub.3-5炔基、C.sub.3-6环烷基-C.sub.1-3烷基或C.sub.7-8芳基烷基；R.sub.2为羟基、C.sub.1-5烷氧基或OM，其中M为碱金属或一当量的碱土金属、铜或铝阳离子；n为0或1的整数；X.sub.1和X.sub.2独立地为氢或C.sub.1-5烷基；Y.sub.1和Y.sub.2独立地为氢、卤素、C.sub.1-5烷基、C.sub.1-5烷氧基或三氟甲基；和 ##STR2## 链接到苯环A的其中一个间位或对位，当A为亚胺时，n不为0，且当A为亚胺时，--CH.sub.2--COR.sub.2不取代噻唑环，用作抗炎、抗风湿、镇痛或抗脂质血症剂。