2-(4-羟基苯基)-4-甲基噻唑 | 138330-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-羟基苯基)-4-甲基噻唑
• 中文别名: 4-(4-甲基-1,3-噻唑)苯酚
• 英文名称: 2-(4-hydroxyphenyl)-4-methylthiazole
• 英文别名: 4-(4-methyl-thiazol-2-yl)-phenol；4-(4-Methyl-1,3-thiazol-2-yl)phenol
• CAS: 138330-01-5
• 化学式: C₁₀H₉NOS
• mdl: MFCD07339172
• 分子量: 191.254
• InChiKey: KYCMBRIDHHFYQX-UHFFFAOYSA-N

物化性质

• 沸点：
  361.7±44.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 储存条件：
  2-8°C，惰性气体

反应信息

• 作为反应物：
  描述：

  2-(4-羟基苯基)-4-甲基噻唑 在 甲酸 、 乌洛托品 、 盐酸羟胺 、 sodium formate 、 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 GJI004A-09
  参考文献：
  名称：

  一种非布司他脱羧杂质的合成方法

  摘要：

  本发明公开了一种非布司他脱羧杂质的合成方法，以对羟基苯硫酰胺为原料，通过与氯丙酮在乙醇中回流缩合、三氟乙酸与乌洛托品的醛基化、氰基化和烷基化4步反应，每步反应收率90％以上得到非布司他脱羧杂质。本发明采用上述一种非布司他脱羧杂质的合成方法，反应步骤温和可控，操作简单，产品纯度达到99％以上。

  公开号：

  CN112961118A
• 作为产物：
  描述：

  4-甲氧基硫代苯甲胺 在 乙醇 、 氢溴酸 作用下， 生成 2-(4-羟基苯基)-4-甲基噻唑
  参考文献：
  名称：

  SYNTHESIS OF THIAZOLES CONTAINING PHENOL AND CATECHOL GROUPS. II

  摘要：

  DOI：

  10.1021/ja01367a046

文献信息

• [EN] NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT<br/>[FR] NOUVEAU PROCÉDÉ POUR LA PRÉPARATION DE FEBUXOSTAT
  申请人：INDOCO REMEDIES LTD

  公开号：WO2012073259A1

  公开（公告）日：2012-06-07

  Disclosed herein is a novel process for the preparation of 2-[3-cyano-4-(2- methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid and novel intermediates thereof.

  本文披露了一种用于制备2-[3-氰基-4-(2-甲基丙氧基)苯基]-4-甲基噻唑-5-羧酸及其新型中间体的新工艺。
• 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties
  申请人：Zambach Werner

  公开号：US20050288186A1

  公开（公告）日：2005-12-29

  Compounds of formula (I) wherein A o is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, S0 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  式(I)的化合物，其中A是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W是例如O、S、SO、S02、—C(═O)—O—或—O—C(═O)—；T是键或例如O、NH、S、SO或SR2；Q是例如O、S、SO或SO2；Y是例如O、S、SO或SO2；X1和X2各自独立地是氟、氯或溴；R1、R2和R3是例如H、卤素、OH、SH、CN或硝基；R4是例如H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5是例如H、CN、OH、C1-C6烷基或C3-C8环烷基；当D是氮时，k是1、2或3；当D是CH时，k是1、2、3或4；m是1或2；E是杂环芳烃，未取代或取代-取决于环上可能的取代物-由1至4个相同或不同的R10取代基选自；R10是例如卤素、CN、NO2、OH、SH或C1-C6烷基；在适用的情况下，它们可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式，制备这些化合物的过程及其用途，农药组合物，其中活性成分已从这些化合物或其农业化学上可接受的盐中选择，制备这些组合物的过程及其用途，用这些组合物处理的植物繁殖材料，以及控制害虫的方法。
• 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  申请人：Zambach Werner

  公开号：US20100016383A1

  公开（公告）日：2010-01-21

  Compounds of formula wherein A 0 is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, SO 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  该化合物的公式为：其中A0是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W例如为O、S、SO、SO2、—C（═O）—O—或—O—C（═O）—；T是键或例如O、NH、S、SO或SR2；Q例如为O、S、SO或SO2；Y例如为O、S、SO或SO2；X1和X2各自独立地为氟、氯或溴；R1、R2和R3例如为H、卤素、OH、SH、CN或硝基；R4例如为H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5例如为H、CN、OH、C1-C6烷基或C3-C8环烷基；当D为氮时，k为1、2或3；当D为CH时，k为1、2、3或4；m为1或2；E是杂环芳基，未取代或被从R10中选择的一个到四个相同或不同的取代基（取决于环上可能的取代物）取代；R10例如为卤素、CN、NO2、OH、SH或C1-C6烷基；以及可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，在自由形式或盐形式中，制备这些化合物的方法及其用途，所述活性成分选自这些化合物或其农药学上可接受的盐的杀虫剂组合物，制备这些组合物的方法及其用途，用这些组合物处理的植物繁殖材料以及控制害虫的方法。
• Thiazole derivative
  申请人：Sato Masakazu

  公开号：US20070154428A1

  公开（公告）日：2007-07-05

  A thiazolylimidazole derivative represented by the formula or a pharmaceutically acceptable salt thereof, and an ALK5 inhibitor, an therapeutic agent for alopecia or a hair growth agent having the above as an active ingredient, wherein: X 1 and X 2 are different from each other and represent a sulfur atom or a carbon atom; R 1 represents a phenyl group; a substituted phenyl group; a phenyl group condensed with a hetero aromatic ring; a pyridyl group; or a pyridyl group condensed with a hetero aromatic ring; R 2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, an alkyl group having 1 to 6 carbon atoms substituted with 1 to 5 halogen atoms, an alkoxy group having 1 to 6 carbon atoms, an alkanoyl group having 1 to 5 carbon atoms, or a hydroxyalkyl group having 1 to 6 carbon atoms, A represents a group which is represented by the formula. The present invention provides an inhibitory substance against ALK5 which is a TGF-β type I receptor and provides a hair growth stimulant or a hair growth agent based on its novel activities.

  一种由以下公式表示的噻唑咪唑衍生物或其药学上可接受的盐，以及ALK5抑制剂，作为治疗脱发或促进头发生长的活性成分。其中：X1和X2不同，分别表示硫原子或碳原子；R1表示苯基；取代苯基；与杂环芳香环融合的苯基；吡啶基；或与杂环芳香环融合的吡啶基；R2表示氢原子，卤素原子，具有1到6个碳原子的烷基，具有1到6个碳原子的烷基，该烷基被1到5个卤素原子取代，具有1到6个碳原子的烷氧基，具有1到5个碳原子的烷酰基或具有1到6个碳原子的羟基烷基；A表示由以下公式表示的基团。本发明提供了一种抗TGF-β类型I受体ALK5的抑制物质，并基于其新颖的活性提供了一种促进头发生长的刺激剂或头发生长剂。
• THIAZOLE DERIVATIVE
  申请人：Sato Masakazu

  公开号：US20100216787A1

  公开（公告）日：2010-08-26

  A thiazolylimidazole derivative represented by the formula or a pharmaceutically acceptable salt thereof, and an ALK5 inhibitor, an therapeutic agent for alopecia or a hair growth agent having the above as an active ingredient, wherein: X 1 and X 2 are different from each other and represent a sulfur atom or a carbon atom; R 1 represents a phenyl group; a substituted phenyl group; a phenyl group condensed with a hetero aromatic ring; a pyridyl group; or a pyridyl group condensed with a hetero aromatic ring; R 2 represents a hydrogen atom, a halogen atom, an alkyl group having 1 to 6 carbon atoms, an alkyl group having 1 to 6 carbon atoms substituted with 1 to 5 halogen atoms, an alkoxy group having 1 to 6 carbon atoms, an alkanoyl group having 1 to 5 carbon atoms, or a hydroxyalkyl group having 1 to 6 carbon atoms, A represents a group which is represented by the formula. The present invention provides an inhibitory substance against ALK5 which is a TGF-β type I receptor and provides a hair growth stimulant or a hair growth agent based on its novel activities.

  一种由式表示的噻唑咪唑衍生物或其药学上可接受的盐，并且一种ALK5抑制剂，用作脱发的治疗剂或具有上述物质作为活性成分的生发剂，其中：X1和X2不同且表示硫原子或碳原子；R1表示苯基；取代苯基；与杂环芳香环融合的苯基；吡啶基；或与杂环芳香环融合的吡啶基；R2表示氢原子、卤原子、具有1至6个碳原子的烷基、1至6个碳原子的烷基，其上取代有1至5个卤原子、具有1至6个碳原子的烷氧基、具有1至5个碳原子的烷酰基或具有1至6个碳原子的羟基烷基；A表示由式表示的基团。本发明提供了一种抗ALK5的抑制物质，该物质是一种TGF-β类型I受体，并基于其新的活性提供了一种生发刺激剂或生发剂。