5-methyl-2-phenylthiazole-4-carboxylic acid | 113366-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-2-phenylthiazole-4-carboxylic acid
• 英文别名: 5-methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
• CAS: 113366-43-1
• 化学式: C₁₁H₉NO₂S
• mdl: MFCD09881002
• 分子量: 219.264
• InChiKey: SDQFOJCLVJKFPG-UHFFFAOYSA-N

物化性质

• 熔点：
  183-185 °C
• 沸点：
  424.0±37.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 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：

  1,2-环氧丁烷 、 5-methyl-2-phenylthiazole-4-carboxylic acid 在 正丁基锂 作用下， 生成 5-(3-hydroxypentyl)-2-phenylthiazole-4-carboxylic acid
  参考文献：
  名称：

  New methods for the homologation of thiazoles and oxazoles by regiospecific lithiations of thiazole- and oxazole-carboxylic acid derivatives.

  摘要：

  DOI：

  10.1016/s0040-4039(00)95542-4
• 作为产物：
  描述：

  ethyl 5-methyl-2-phenylthiazole-4-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 5-methyl-2-phenylthiazole-4-carboxylic acid
  参考文献：
  名称：

  EP1216980

  摘要：

  公开号：

文献信息

• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• Copper-catalyzed <i>ipso</i>-selenation of aromatic carboxylic acids
  作者：Jing Wang、Hongchen Li、Tao Leng、Miaochang Liu、Jinchang Ding、Xiaobo Huang、Huayue Wu、Wenxia Gao、Ge Wu

  DOI：10.1039/c7ob02066j

  日期：——

  The copper-catalyzed decarboxylative selenation of aromatic carboxylic acids with diselenide is reported. This transformation tolerated a diverse set of functional groups on the substrates, including pentafluorobenzoic acid and heteroaromatic acids, delivering diaryl and methyl aryl selenides in good to excellent yields. Mechanistic studies indicated that the copper catalyst is essential in the activation

  据报道，铜催化的芳族羧酸与二硒化物的脱羧硒化反应。该转化耐受底物上的各种官能团，包括五氟苯甲酸和杂芳族酸，以良好或优异的产率递送二芳基和甲基芳基硒化物。机理研究表明，铜催化剂对于激活Se-Se键和芳香酸脱羧至关重要。该产品的实用性已在10 H-吩来那嗪和11-甲基二苯并-（b，f）-1,4-硒苯氮平的轻松合成中得到证明。
• 一种芳硒基杂环化合物的合成方法
  申请人：温州医科大学

  公开号：CN107188846B

  公开（公告）日：2019-08-20

  本发明涉及一种芳硒基杂环化合物的合成方法，在有机溶剂中，氧气条件下，以芳香杂环羧酸与二芳基二硒醚为反应原料，在铜催化剂、配体和碱的共同促进作用下，通过氧化脱羧偶联反应得到芳硒基杂环化合物。所述方法芳香杂环羧酸底物和铜催化剂廉价易得、底物范围广泛、反应条件简单、产物的产率和纯度高，为芳硒基杂环化合物开拓了新的合成路线和方法，具有良好的应用潜力和研究价值。
• Carboxylic acid derivatives and drugs containing the same
  申请人：Shinoda Masanobu

  公开号：US06884821B1

  公开（公告）日：2005-04-26

  Novel carboxylic acid derivatives of general formula (I), salts of the same, esters thereof, or hydrates of them, which are useful as insulin resistance improvers; and drugs containing the derivatives as the active ingredient. In said formula, R 1 is hydrogen, hydroxyl, alkyl, or the like; L is a single bond, a double bond, alkylene, or the like; M is a single bond, alkylene, or the like; T is a single bond, alkylene, or the like; W is carboxyl, —CON(R W1 )R W2 , or the like; represents a single or double bond; X is oxygen, alkenylene, or the like; Y is an aromatic hydrocarbon group which may contain a heteroatom, or the like; and Z is an aromatic hydrocarbon group which may contain a heteroatom.

  化合物的一般式（I）的新型羧酸衍生物，其盐、酯或水合物，可用作胰岛素抵抗改善剂；以及含有该衍生物作为活性成分的药物。在所述的公式中，R1是氢、羟基、烷基或类似物；L是单键、双键、烷基或类似物；M是单键、烷基或类似物；T是单键、烷基或类似物；W是羧基、—CON（RW1）RW2或类似物；表示单键或双键；X是氧、烯基烷基或类似物；Y是芳香族碳氢基团，可以包含杂原子或类似物；Z是芳香族碳氢基团，可以包含杂原子。
• CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：Eisai Co., Ltd.

  公开号：EP1216980A1

  公开（公告）日：2002-06-26

  The present invention provides a novel carboxylic acid compound, a salt thereof or a hydrate of them useful as an insulin-resistant improver, and a medicament comprising the compound as an active ingredient. That is, the present invention provides a carboxylic acid compound represented by the following formula (I), a salt thereof, an ester thereof or a hydrate of them. In the formula, R1 represents hydrogen atom, hydroxyl group or a C1-6 alkyl group etc. which may have one or more substituents; L represents a single or double bond or a C1-6 alkylene group etc. which may have one or more substituents; M represents a single bond or a C1-6 alkylene group etc. which may have one or more substituents; T represents a single bond or a C1-3 alkylene group which may have one or more substituents; W represents carboxyl group or a group represented by the formula -CON(Rw1)Rw2 (wherein Rw1 and Rw2 are the same as or different from each other and each represents hydrogen atom, formyl group etc.) etc.; represents a single or double bond; X represents oxygen atom or a C2-6 alkenylene group etc. which may have one or more substituents; Y represents a C5-12 aromatic hydrocarbon group etc. which may have one or more substituents and which may have one or more heteroatoms; and ring Z represents a C5-6 aromatic hydrocarbon group which may have 0 to 4 substituents and which may have one or more heteroatoms.

  本发明提供了一种新型羧酸化合物、其盐或它们的水合物，可用作胰岛素抗性改进剂，以及包含该化合物作为活性成分的药物。也就是说，本发明提供了由下式（I）代表的羧酸化合物、其盐、酯或它们的水合物。 式中，R1 代表氢原子、羟基或 C1-6 烷基等，可有一个或多个取代基；L 代表单键或双键或 C1-6 亚烷基等，可有一个或多个取代基；M 代表单键或 C1-6 亚烷基等，可有一个或多个取代基。W 代表羧基或由式-CON(Rw1)Rw2 所代表的基团（其中 Rw1 和 Rw2 彼此相同或不同，且各自代表氢原子、甲酰基等）等。)等表示的基团；代表单键或双键；X 代表氧原子或 C2-6 烯基等，可有一个或多个取代基；Y 代表 C5-12 芳烃基等，可有一个或多个取代基，可有一个或多个杂原子；环 Z 代表 C5-6 芳烃基，可有 0 至 4 个取代基，可有一个或多个杂原子。