4-(4-氟-苯基)-2-甲基-噻唑 | 450-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(4-氟-苯基)-2-甲基-噻唑
• 中文别名: 乙酸1,3,7-三甲基嘌呤-2,6-二酮；4-(4-氟苯基)-2-甲基噻唑
• 英文名称: 4-(4-fluorophenyl)-2-methylthiazole
• 英文别名: 4-(4-fluoro-phenyl)-2-methyl-thiazole；4-(4-Fluor-phenyl)-2-methyl-thiazol；4-(4-fluorophenyl)-2-methyl-1,3-thiazole
• CAS: 450-29-3
• 化学式: C₁₀H₈FNS
• mdl: MFCD00518914
• 分子量: 193.245
• InChiKey: BVTLCUSPIGZVKE-UHFFFAOYSA-N

物化性质

• 熔点：
  184-185 °C
• 沸点：
  292.5±15.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 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：
  41.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(4-Fluorophenyl)-2-methylthiazole
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(4-Fluorophenyl)-2-methylthiazole
CAS number: 450-29-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10H8FNS
Molecular weight: 193.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(4-氟-苯基)-2-甲基-噻唑 在 tris-(dibenzylideneacetone)dipalladium(0) 、 溴 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 18.0h， 生成 tert-butyl (2S,5R)-4-(4-(4-fluorophenyl)-2-methylthiazol-5-yl)-2,5-dimethylpiperazine-1-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS
  [FR] COMPOSÉS HÉTÉROARYLE SUBSTITUÉS UTILES EN TANT QU'ACTIVATEURS DE LYMPHOCYTES T

  摘要：

  本发明涉及以下式(I)的化合物或其盐，其中：X是CR6或N；Y是CR3或N；R1，R2，R3，R4，R5，R6和m的定义如下。本发明还涉及使用这些化合物来抑制二酰甘油激酶α（DGKα）和二酰甘油激酶ζ（DGKζ）中的一个或两个的活性的方法，以及包含这些化合物的制药组合物。这些化合物在治疗病毒感染和增生性疾病，如癌症中有用。

  公开号：

  WO2021133752A1
• 作为产物：
  描述：

  硫代乙酰胺 、 2-溴-4'-氟苯乙酮 在 乙酸乙酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以to give the title compound (6.5 g, 73%)的产率得到4-(4-氟-苯基)-2-甲基-噻唑
  参考文献：
  名称：

  KINASE INHIBITORS

  摘要：

  本发明提供了公式I的激酶抑制剂。

  公开号：

  US20090036445A1

文献信息

• Access to Thiazole via Copper-Catalyzed [3+1+1]-Type Condensation Reaction under Redox-Neutral Conditions
  作者：Xiaodong Tang、Jidan Yang、Zhongzhi Zhu、Meifang Zheng、Wanqing Wu、Huanfeng Jiang

  DOI：10.1021/acs.joc.6b02124

  日期：2016.11.18

  [3+1+1]-type condensation reaction from oximes, anhydrides and potassiumthiocyanate (KSCN) is developed herein. The transformation has good functional group tolerance and various thiazoles were formed smoothly in good to excellent yields under mild reaction conditions. This process involves copper-catalyzed N–O/C–S bond cleavages, activation of vinyl sp2 C–H bond, and C–S/C–N bond formations which are

  本文开发了通过肟，酸酐和硫氰酸钾（KSCN）的铜催化的[3 + 1 + 1]型缩合反应制备噻唑的新策略。该转化具有良好的官能团耐受性，并且在温和的反应条件下以良好至优异的收率顺利形成了各种噻唑。此过程涉及铜催化的N–O / C–S键断裂，乙烯基sp 2 C–H键的活化以及在氧化还原中性条件下的C–S / C–N键形成以及操作简便性。
• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES
  申请人：LILLY CO ELI

  公开号：WO2005075478A1

  公开（公告）日：2005-08-18

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了化合物I的激酶抑制剂。
• Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors
  申请人：BASF SE

  公开号：US20140323305A1

  公开（公告）日：2014-10-30

  The present invention relates to the use of strobilurine type compounds of formula I and the N-oxides and the salts thereof for combating phytopathogenic fungi containing a mutation in the mitochondrial cytochrome b gene conferring resistance to Qo inhibitors, and to methods for combating such fungi. The invention also relates to novel compounds, processes for preparing these compounds, to compositions comprising at least one such compound, to plant health applications, and to seeds coated with at least one such compound.

  本发明涉及使用式I的蘑菇酸类化合物以及其N-氧化物和盐来对抗含有对Qo抑制剂产生耐药性的线粒体细胞色素b基因突变的植物病原真菌，以及对抗这类真菌的方法。该发明还涉及新颖的化合物、制备这些化合物的方法、包含至少一种这样的化合物的组合物、植物健康应用以及至少一种这样的化合物包被的种子。
• COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS
  申请人：Nickolaus Peter

  公开号：US20130237527A1

  公开（公告）日：2013-09-12

  The present invention relates to new medicament combinations which contain in addition to one or more PDE4-inhibitors (1) at least one EP4 receptor antagonist (2), as well as the use thereof for the treatment of preferably respiratory complaints such as particularly COPD, chronic sinusitis and asthma. The invention relates in particular to those medicament combinations which contain at least one EP4 receptor antagonist (2), in addition to one or more, preferably one, PDE4 inhibitor of general formula 1 wherein X is SO or SO 2 , but preferably SO, and wherein R 3 denotes an optionally substituted, mono- or bicyclic, unsaturated, partly saturated or saturated heterocyclic group or an optionally substituted, mono- or bicyclic heteroaryl and wherein R 1 and R 2 have the meanings given in claim 1, the preparation thereof and the use thereof for the treatment of respiratory complaints.

  本发明涉及新的药物组合，除了含有一种或多种PDE4抑制剂（1）外，还包含至少一种EP4受体拮抗剂（2），以及其用于治疗最好是呼吸道疾病，如慢性阻塞性肺疾病（COPD）、慢性鼻窦炎和哮喘等的用途。特别涉及那些含有至少一种EP4受体拮抗剂（2）的药物组合，除了一种或多种，最好是一种，PDE4通用式1的抑制剂，其中X为SO或SO2，但最好是SO，且其中R3表示一个可选择取代的、单环或双环、不饱和、部分饱和或饱和的杂环基团或一个可选择取代的、单环或双环杂环基团，其中R1和R2具有权利要求1中给出的含义，其制备和用于治疗呼吸道疾病的用途。
• PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES
  申请人：Aissaoui Hamed

  公开号：US20110212968A1

  公开（公告）日：2011-09-01

  The invention relates to novel phenethylamide derivatives and their wherein A, B, R 1 , R 2 and R 3 are as described in the application, and to the use of such compounds, or of pharmaceutically acceptable salts of such compounds, as medicaments, especially as orexin receptor antagonists.

  本发明涉及新型苯乙酰胺衍生物及其其中A、B、R1、R2和R3如本申请中所述的衍生物的药物学上可接受的盐的使用，特别是作为药物，尤其是作为促进睡眠的药物，如促进睡眠的药物。