5-溴-4-(三氟甲基)噻唑-2-胺 | 136411-21-7

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-溴-4-(三氟甲基)噻唑-2-胺
• 中文别名: 5-溴-4-三氟甲基噻唑-2-胺；5-溴-4-三氟甲基-2-氨基噻唑
• 英文名称: 2-amino-4-(trifluoromethyl)-5-bromothiazole
• 英文别名: 5-bromo-4-(trifluoromethyl)thiazol-2-amine；2-amino-5-bromo-4-(trifluoromethyl)thiazole；5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-amine
• CAS: 136411-21-7
• 化学式: C₄H₂BrF₃N₂S
• 分子量: 247.038
• InChiKey: DSEAYBLLHONPRM-UHFFFAOYSA-N

物化性质

• 沸点：
  273.0±35.0 °C(Predicted)
• 密度：
  1.990±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2934100090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-4-(trifluoromethyl)thiazol-2-amine
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: 5-Bromo-4-(trifluoromethyl)thiazol-2-amine
CAS number: 136411-21-7

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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, refrigerated.
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: C4H2BrF3N2S
Molecular weight: 247.0

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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, hydrogen bromide, 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-氨基-4-三氟甲基噻唑	4-(trifluoromethyl)-1,3-thiazol-2-amine	349-49-5	C4H3F3N2S	168.142

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2,2,2-trifluoro-N-<4-(trifluoromethyl)-5-bromo-2-thiazolyl>acetamide	136411-23-9	C6HBrF6N2OS	343.047

反应信息

• 作为反应物：
  描述：

  5-溴-4-(三氟甲基)噻唑-2-胺 在 亚硝酸特丁酯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 5-bromo-4-(trifluoromethyl)thiazole
  参考文献：
  名称：

  [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS
  [FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES

  摘要：

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。

  公开号：

  WO2021127302A1
• 作为产物：
  描述：

  2-氨基-4-三氟甲基噻唑 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 5-溴-4-(三氟甲基)噻唑-2-胺
  参考文献：
  名称：

  [EN] HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION
  [FR] POTENTIALISATEURS ALLOSTÉRIQUES HÉTÉROCYCLIQUES SULFONÉS DU MGLUR4, COMPOSITIONS ASSOCIÉES ET MÉTHODES DE TRAITEMENT D'UN DYSFONCTIONNEMENT NEUROLOGIQUE

  摘要：

  杂环磺酮化合物可用作代谢型谷氨酸受体亚型4（mGluR4）的别构势激剂/正向别构调节剂，并且可以用于治疗神经系统和精神疾病或其他与谷氨酸功能障碍相关的疾病状态的方法。

  公开号：

  WO2011143466A1

文献信息

• INSECTICIDAL AMINOTHIAZOLE DERIVATIVES
  申请人：Nippon Soda Co., Ltd.

  公开号：US20040082629A1

  公开（公告）日：2004-04-29

  Insecticidal aminothiazole derivatives and the use as an insecticide and acaricide of the compounds of formula (1): 1 wherein R 1 is cyano or fluoroalkyl, R 2 is halogen, SCN or aryl, R 3 is H, C 1 -C 6 alkyl, SO 2 R 5 or C(O)R 6 , R 4 and R 6 are, independently, aryl, phenylalkyl, alkyl, cycloalkyl groups, being optionally substituted by one or more of halogen, cyano, alkyl, alkenyl, alkynyl, haloalkyl, alkoxy, nitro, alkoxycarbonyl, alkylcarbonyloxy, alkylenedioxy, alkylcarbonyl, amino, alkylamino, haloalkoxy, alkylthio, alkylsulfonyl, haloalkenyl, alkoxycarbonylalkyl or alkoxycarbonylalkoxy; said aryl, phenylalkyl groups may additionally be fused to a cycloalkyl ring, R 5 is C 1 -C 6 alkyl, haloalkyl, X is O, S, NR 7 , R 7 is alkyl, cycloalkyl, alkoxy, alkenylalkyloxy, alkynylalkyloxy, alkoxycarbonylalkyloxy.

  杀虫氨噻唑衍生物及其作为杀虫剂和杀螨剂的应用，其化合物的化学式如下： 1 其中R 1 为氰基或氟烷基，R 2 为卤素、SCN或芳基，R 3 为H、C 1 -C 6 烷基、SO 2 R 5 或C(O)R 6 ，R 4 和R 6 独立地为芳基、苯基烷基、烷基、环烷基基团，可选择地被一个或多个卤素、氰基、烷基、烯基、炔基、卤代烷基、烷氧基、硝基、烷氧羰基、烷基羰氧基、烷二氧基、烷基羰基、氨基、烷基氨基、卤代烷氧基、烷基硫氧基、卤代烯基、烷氧羰基烷基或烷氧羰基烷氧基取代；所述芳基、苯基烷基基团还可以额外与环烷基环融合，R 5 为C 1 -C 6 烷基、卤代烷基，X为O、S、NR 7 ，R 7 为烷基、环烷基、烷氧基、烯基烷氧基、炔基烷氧基、烷氧羰基烷氧基。
• [EN] HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION<br/>[FR] POTENTIALISATEURS ALLOSTÉRIQUES HÉTÉROCYCLIQUES SULFONÉS DU MGLUR4, COMPOSITIONS ASSOCIÉES ET MÉTHODES DE TRAITEMENT D'UN DYSFONCTIONNEMENT NEUROLOGIQUE
  申请人：UNIV VANDERBILT

  公开号：WO2011143466A1

  公开（公告）日：2011-11-17

  Heterocyclic sulfone compounds which are useful as allosteric potentiators/positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4); and methods of using the compounds, for example, in treating neurological and psychiatric disorders or other disease state associated with glutamate dysfunction.

  杂环磺酮化合物可用作代谢型谷氨酸受体亚型4（mGluR4）的别构势激剂/正向别构调节剂，并且可以用于治疗神经系统和精神疾病或其他与谷氨酸功能障碍相关的疾病状态的方法。
• Inhibitors against the production and release of inflammatory cytokines
  申请人：——

  公开号：US20040259877A1

  公开（公告）日：2004-12-23

  A medicament having inhibitory activity against NF-&kgr;B activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: 1 wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-&kgr;B激活活性的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐作为活性成分：1其中X表示连接基，A表示氢原子或乙酰基，E表示芳基或杂芳基，环X表示芳烃或杂芳烃。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20080318956A1

  公开（公告）日：2008-12-25

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式（I）所表示的化合物或其药理学上可接受的盐作为活性成分：其中，X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳环或杂芳环。
• Thiazole and thiadiazole compounds for inflammation and immune-related uses
  申请人：Vo Huu Nha

  公开号：US20070254925A1

  公开（公告）日：2007-11-01

  The invention relates to compounds of structural formula (I): or a pharmaceutically acceptable salt, solvate, clathrate, or prodrug thereof, wherein R′ 1 , X, X′, L and Y are defined herein. These compounds are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.

  该发明涉及结构式（I）的化合物：或其药学上可接受的盐，溶剂化物，包合物或前药，其中R′1，X，X′，L和Y在此定义。这些化合物可用作免疫抑制剂，用于治疗和预防炎症疾病，过敏性疾病和免疫性疾病。