2,4-diethylthiazole-5-carboxylic acid | 123695-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4-diethylthiazole-5-carboxylic acid
• 英文别名: 2,4-diethyl-1,3-thiazole-5-carboxylic acid
• CAS: 123695-21-6
• 化学式: C₈H₁₁NO₂S
• 分子量: 185.247
• InChiKey: VLQFBXKRCCAZPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-diethylthiazole-5-carboxylic acid 在 盐酸 、 sodium tetrahydroborate 、 草酰氯 、 乙基溴化镁 、 三乙胺 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 氯仿 、 异丙醇 、 苯 为溶剂， 50.0 ℃ 、344.74 kPa 条件下， 反应 6.0h， 生成 2,4-Diethyl-5-(1H-imidazol-4-ylmethyl)-thiazole
  参考文献：
  名称：

  α₂ Adrenoceptor Agonists as Potential Analgesic Agents. 1. (Imidazolylmethyl)oxazoles and -thiazoles

  摘要：

  A series of (imidazolylmethyl)oxazoles and -thiazoles were prepared and evaluated as alpha(2) adrenoceptor agonists. These compounds were also tested in in vivo paradigms that are predictive of analgesic activity. Variations in both the imidazole and thiazole portions of the molecule were investigated. Some of the more potent compounds such as 22, 26, 45, and 53 displayed at receptor binding in the 10-20 nM range and also had significant, antinociceptive activity in the mouse abdominal irritant test (MAIT).

  DOI：

  10.1021/jm990005a
• 作为产物：
  描述：

  丙酰乙酸乙酯 在 氢氧化钾 、 正丁基锂 、 磺酰氯 作用下， 以 乙醇 、 水 为溶剂， 反应 77.0h， 生成 2,4-diethylthiazole-5-carboxylic acid
  参考文献：
  名称：

  Cornwall, Philip; Dell, Colin P.; Knight, David W., Journal of the Chemical Society. Perkin transactions I, 1991, # 10, p. 2417 - 2428

  摘要：

  DOI：

文献信息

• Novel amide derivatives, processes for production thereof, and
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US04980363A1

  公开（公告）日：1990-12-25

  An amide derivative represented by the following general formula (I) ##STR1## wherein one of X and Y represents a sulfur atom and the other represents a carbon atom, Z represents a nitrile or thioamide group, each of R.sup.1 and R.sup.2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, a halomethyl group or a phenyl group, and R.sup.3 represents an alkenyl group having 2 to 6 carbon atoms, a haloalkenyl group having 2 to 4 carbon atoms, a furyl group, a thienyl group, an alkoxy group having 1 to 4 carbon atoms, an alkylthio group having 1 to 4 carbon atoms, an alkynyloxy group having 3 to 5 carbon atoms, an alkynylthio group having 3 to 5 carbon atoms, a pyrazolyl group, or an unsubstituted or halo-substituted phenyl group; processes for producing the amide derivative; an agricultural-horicultural fungicide comprising the amide derivative as an active ingredient; and to an agricultural-horicultural fungicidal composition comprising the amide derivative of general formula (I) as an active ingredient.

  以下是由以下通式（I）表示的酰胺衍生物：##STR1## 其中X和Y中的一个表示硫原子，另一个表示碳原子，Z表示腈基或硫酰胺基，R1和R2中的每一个表示氢原子、卤素原子、具有1至6个碳原子的烷基、卤甲基或苯基，而R3表示具有2至6个碳原子的烯基、具有2至4个碳原子的卤代烯基、呋喃基、噻吩基、具有1至4个碳原子的烷氧基、具有1至4个碳原子的烷硫基、具有3至5个碳原子的炔氧基、具有3至5个碳原子的炔硫基、吡唑基或未取代或卤代的苯基；制备酰胺衍生物的方法；以酰胺衍生物为活性成分的农业园艺杀菌剂；以通式（I）的酰胺衍生物为活性成分的农业园艺杀菌组合物。
• Amide derivatives, processes for production thereof, and
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US05104886A1

  公开（公告）日：1992-04-14

  An amide derivative represented by the following general formula (I) ##STR1## wherein one of X and Y represents a sulfur atom and the other represents a carbon atom, Z represents a nitrile or thioamide group, each of R.sup.1 and R.sup.2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, a halomethyl group or a phenyl group, and R.sup.3 represents an alkenyl group having 2 to 6 carbon atoms, a haloalkenyl group having 2 to 4 carbon atoms, a furyl group, a thienyl group, an alkoxy group having 1 to 4 carbon atoms, an alkylthio group having 1 to 4 carbon atoms, an alkynyloxy group having 3 to 5 carbon atoms, an alkynylthio group having 3 to 5 carbon atoms, a pyrazolyl group, or an unsubstituted or halo-substituted phenyl group; processes for producing the amide derivative; an agricultural-horticultural fungicide comprising the amide derivative as an active ingredient; and to an agricultural-horticultural fungicidal composition comprising the amide derivative of general formula (I) as an active ingredient.

  以下是通式（I）所代表的酰胺衍生物： ##STR1## 其中X和Y中的一个代表硫原子，另一个代表碳原子，Z代表腈基或硫酰胺基，R.sup.1和R.sup.2分别代表氢原子、卤素原子、1至6个碳原子的烷基、卤甲基或苯基，R.sup.3代表2至6个碳原子的烯基、2至4个碳原子的卤代烯基、呋喃基、噻吩基、1至4个碳原子的烷氧基、1至4个碳原子的烷硫基、3至5个碳原子的炔氧基、3至5个碳原子的炔硫基、吡唑基或未取代或卤代取代的苯基；以及制备该酰胺衍生物的方法，包括将该酰胺衍生物作为活性成分的农业园艺杀真菌剂，以及包括通式（I）的酰胺衍生物作为活性成分的农业园艺杀真菌组合物。
• PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES
  申请人：Mitsui Chemicals, Inc.

  公开号：EP0377750A1

  公开（公告）日：1990-07-18

  The invention provides a process for preparing thiazolecarboxylic acid chlorides represented by general formula (II) (wherein R1 represents a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group or a lower alkyl group substituted by a halogen atom or a lower alkoxy group, and R2 represents a hydrogen atom, a lower alkyl group optionally substituted by a halogen atom or a lower alkoxy group), which comprises reacting a thiazolecarboxylic acid represented by general formula (I) (wherein R1 and R2 are as defined above with respect to general formula (II) with phosgene or trichloromethyl chloroformate in the presence or absence of a catalyst.

  本发明提供了一种制备通式(II)代表的噻唑羧酸氯化物的工艺（其中R1代表氢原子、卤素原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基，R2代表氢原子、R1代表氢原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基，R2代表氢原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基），该反应包括在催化剂存在或不存在的情况下，将通式（I）代表的噻唑羧酸（其中 R1 和 R2 如上文通式（II）所定义）与光气或氯甲酸三氯甲酯反应。
• KUSABA, TOMOYUKI;SHINSUGI, KAZUE;KATOH, TSUGUHIRO;MEKI, NAOTO;SUGANO, MAS+
  作者：KUSABA, TOMOYUKI、SHINSUGI, KAZUE、KATOH, TSUGUHIRO、MEKI, NAOTO、SUGANO, MAS+

  DOI：——

  日期：——
• US5136042A
  申请人：——

  公开号：US5136042A

  公开（公告）日：1992-08-04