2,4-二甲基噻唑-5-羰酰氯 | 119778-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2,4-二甲基噻唑-5-羰酰氯
• 英文名称: 2,4-dimethylthiazole-5-carboxylic acid chloride
• 英文别名: 2,4-dimethyl-thiazole-5-carboxylicacidchloride；2,4-dimethylthiazole-5-carbonyl chloride；2,4-dimethyl-thiazole-5-carbonyl chloride；2,4-Dimethyl-1,3-thiazole-5-carbonyl chloride
• CAS: 119778-43-7
• 化学式: C₆H₆ClNOS
• 分子量: 175.639
• InChiKey: JTOMQXXKQNNQIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one oxime 、 2,4-二甲基噻唑-5-羰酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 以65%的产率得到[(Z)-[3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ylidene]amino] 2,4-dimethyl-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Synthesis and Fungicidal Activity of(1Z, 3Z)-4,4-Dimethyl-1-substitutedphenyl-2-(1H-1,2,4-triazol-1-yl)-pent-1-en-3-oneO-[2,4-dimethylthiazole(or 4-methyl-1,2,3-thiadiazole)]-5-carbonyl Oximes

  摘要：

  A series of novel (Z)‐1‐tert‐butyl (or phenyl)‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐ethanoneO‐[2,4‐dimethylthiazole (or 4‐methyl‐1,2,3‐thiadiazole) −5‐carbonyl] oximes5a–5cand (1Z, 3Z)‐4,4‐dimethyl‐1‐substitutedphenyl‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐pent‐1‐en‐3‐oneO‐[2,4‐dimethylthiazole (or 4‐methyl‐1,2,3‐thiadiazole)‐5‐carbonyl] oximes6a–6ewere synthesized by the condensations of (Z)‐1‐tert‐butyl (or phenyl)‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐ethanone oximes3or (1Z, 3Z)‐4,4‐dimethyl‐1‐substitutedphenyl‐2‐(1H‐1,2,4‐triazol‐1‐yl)‐pent‐1‐en‐3‐one oximes4with 2,4‐dimethylthiazole‐5‐carbonyl chloride or 4‐methyl‐1,2,3‐thiadiazole‐5‐carbonyl chloride in the basic condition. Their structures were confirmed by IR,1H NMR, mass spectroscopy, and elemental analyses. The results of preliminary bioassays showed the title compounds5and6exhibited moderate to good fungicidal activities. For example, compound6cpossessed 86.4% inhibition againstFusarium oxysporum, and compound6bexhibited 86.4 and 100% inhibition againstFusarium oxysporumandCercospora arachidicola Horiat the concentration of 50 mg/L, respectively.

  DOI：

  10.1002/jhet.783
• 作为产物：
  描述：

  2,4-二甲基-1,3-噻唑-5-羧酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2,4-二甲基噻唑-5-羰酰氯
  参考文献：
  名称：

  作为PI3K抑制剂的吡啶并[1,2-a]嘧啶酮类 似物

  摘要：

  本发明公开了一类作为PI3K抑制剂的吡啶并[1,2‑a]嘧啶酮类似物，具体地，本发明涉及式(I)所示化合物或其药学上可接受的盐。

  公开号：

  CN105461711B

文献信息

• Structure–Activity relationships of substituted benzothiophene-anthranilamide factor Xa inhibitors
  作者：Yuo-Ling Chou、David D Davey、Keith A Eagen、Brian D Griedel、Rushad Karanjawala、Gary B Phillips、Karna L Sacchi、Kenneth J Shaw、Shung C Wu、Dao Lentz、Amy M Liang、Lan Trinh、Michael M Morrissey、Monica J Kochanny

  DOI：10.1016/s0960-894x(02)00938-1

  日期：2003.2

  non-amidine factor Xa inhibitor with good selectivity against thrombin and trypsin. A series of modifications of the three aromatic groups of 1 was investigated. Substitution of chlorine or bromine for fluorine on the aniline ring led to the discovery of subnanomolar factor Xa inhibitors. Positions on the anthranilic acid ring that can accommodate further substitution were also identified.

  通过高通量筛选将化合物1鉴定为对凝血酶和胰蛋白酶具有良好选择性的新型有效非non因子Xa抑制剂。研究了1的三个芳族基团的一系列修饰。用氯或溴取代苯胺环上的氟导致发现亚纳摩尔因子Xa抑制剂。还确定了可以适应进一步取代的邻氨基苯甲酸环上的位置。
• Process for the preparation of thiazolecarboxylic acid chlorides
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US05136042A1

  公开（公告）日：1992-08-04

  Disclosed herein is a process for the preparation of a thiazolecarboxylic acid chloride represented by the following general formula (II): ##STR1## wherein R.sub.1 represents a hydrogen or halogen atom, a lower alkyl group, a lower alkoxy group, or a lower alkyl group substituted by a halogen atom or lower alkoxy group, and R.sub.2 represents a hydrogen atom, a lower alkyl group, or a lower alkyl group substituted by a halogen atom or lower alkoxy group, which comprises reacting a thiazolecarboxylic acid represented by the following general formula (I): ##STR2## wherein R.sub.1 and R.sub.2 have the same meanings as defined with respect to formula (II), with phosgene or trichloromethyl chloroformate in the presence or absence of a catalyst.

  本文揭示了一种制备由下述通式（II）表示的噻唑羧酸氯化物的方法：##STR1## 其中R.sub.1代表氢原子或卤素原子、低碳烷基基团、低碳氧基基团或被卤素原子或低碳氧基基团取代的低碳烷基基团，R.sub.2代表氢原子、低碳烷基基团或被卤素原子或低碳氧基基团取代的低碳烷基基团，包括将由下述通式（I）表示的噻唑羧酸：##STR2## 其中R.sub.1和R.sub.2的含义与通式（II）中定义的含义相同，与光气或三氯甲基氯甲酸酯在催化剂的存在或缺席下反应。
• PGD2 receptor antagonists for the treatment of inflammatory diseases
  申请人：Ghosh Shomir

  公开号：US20050256158A1

  公开（公告）日：2005-11-17

  Disclosed herein are compounds represented by Structural Formula (I) and (I-A): Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply “CRTH2” for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文揭示了由结构式（I）和（I-A）表示的化合物：还披露了利用这些化合物抑制称为Th2表达的G蛋白偶联受体的化学引诱受体同源分子，简称“CRTH2”，用于治疗炎症性疾病。结构式（I）和（I-A）中的变量在此处被定义。
• Substituted carboxanilide derivative and plant disease control agent
  申请人：Mitsui Chemicals, Inc.

  公开号：US05914344A1

  公开（公告）日：1999-06-22

  A substituted carboxanilide derivative represented by the formula (1): ##STR1## wherein A is a hydrogen atom or methyl, B is a methyl or ethyl, and Het is 1-methyl-3-substituted-4-pyrazolyl or 2-methyl-4-substituted-5-triazoyl group, exhibits a disease control effect against Botrytis cinerea, Powdery mildew, Pyricularia oryzae of rice plant and other various plant diseases, is excellent in residual effect, has also activity against resistant strain for conventional chemicals, particularly exerts control effects against Botrytis cinerea at a lower dosage as compared with a prior art, is also safe for crops, and thus is useful as a plant control agent.

  一种代表为以下式（1）的取代羧酰苯胺衍生物：其中A是氢原子或甲基，B是甲基或乙基，Het是1-甲基-3-取代-4-吡唑基或2-甲基-4-取代-5-三唑基团，对灰霉病菌、白粉病菌、水稻稻瘟病菌和其他各种植物病害具有良好的病害控制效果，残效性优良，对传统化学药剂的耐药菌株也具有活性，尤其在比较之下，对灰霉病菌的控制效果在较低剂量下表现出色，同时对作物安全，因此可作为植物防治剂使用。
• Amide derivatives, and their production and agricultural fungicides
  申请人：Sumitomo Chemical Company Limited

  公开号：US04918089A1

  公开（公告）日：1990-04-17

  An amide compound of the formula: ##STR1## wherein R.sup.1 and R.sup.2 are, the same or different, each a hydrogen atom or a C.sub.1 -C.sub.3 alkyl group and R.sup.3 is a 2-furyl group, a 3-furyl group, a 2-thienyl group or a 3-thienyl group, which is useful as an agricultural fungicide.

  一种酰胺化合物，其化学式为：##STR1##其中R.sup.1和R.sup.2是相同或不同的氢原子或C.sub.1-C.sub.3烷基，R.sup.3是2-呋喃基，3-呋喃基，2-噻吩基或3-噻吩基，可用作农业杀菌剂。