5-溴-4-甲基噻吩-2-羧酸 | 54796-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-溴-4-甲基噻吩-2-羧酸
• 英文名称: 5-Bromo-4-methyl-thiophene-2-carboxylic acid
• 英文别名: 5-Bromo-4-methylthiophene-2-carboxylic acid
• CAS: 54796-53-1
• 化学式: C₆H₅BrO₂S
• mdl: MFCD11110671
• 分子量: 221.075
• InChiKey: HSHPZFSEXMTXSY-UHFFFAOYSA-N

物化性质

• 沸点：
  322.4±42.0 °C(Predicted)
• 密度：
  1.784±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为：2-8°C，避光，惰性气体环境。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-4-methylthiophene-2-carboxylic acid
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-methylthiophene-2-carboxylic acid
CAS number: 54796-53-1

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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: C6H5BrO2S
Molecular weight: 221.1

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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, 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

反应信息

• 作为反应物：
  描述：

  5-溴-4-甲基噻吩-2-羧酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-Bromo-4-methylthiophene-2-carbonyl chloride
  参考文献：
  名称：

  USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES

  摘要：

  本发明涉及以下一般式I的噻吩衍生物或其对映体、二对映异构体、水合物、溶剂化合物、互变异构体、外消旋混合物或其药学上可接受的盐，以及其作为药物的用途，特别用于治疗和/或预防糖尿病、其并发症和/或相关病理，尤其是II型糖尿病和高血糖。

  公开号：

  US20150197530A1
• 作为产物：
  描述：

  4-甲基-2-噻吩甲酸 在 溴 、 溶剂黄146 作用下， 以82%的产率得到5-溴-4-甲基噻吩-2-羧酸
  参考文献：
  名称：

  Stereoselective process for the synthesis of chiral garft compounds and intermediates

  摘要：

  本发明描述了具有化学式1的分子的立体选择性衍生物和前体的制备方法。描述了化合物、中间体和衍生物的制备方法。本文描述的方法允许制备具有化学式1的化合物的对映异构体形式。本发明的化合物是GARFT抑制剂。

  公开号：

  US20050085492A1

文献信息

• [EN] 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH)<br/>[FR] DERIVES DE 6H-THIENO`2,3-B!PYRROLE EN TANT QU'ANTAGONISTES DE LA GONADOLIBERINE (GNRH)
  申请人：ASTRAZENECA AB

  公开号：WO2004018480A1

  公开（公告）日：2004-03-04

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I): wherein: R1, R2, R3, R4 and R5 are as defined in the specification, which are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.

  这项发明涉及一组新型噻吩-吡咯烷化合物的化学式（I）：其中：R1、R2、R3、R4和R5如规范中定义，这些化合物可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备方法。
• 含丙二醇噻吩酰胺类化合物、制备方法及其用途
  申请人：佛山市赛维斯医药科技有限公司

  公开号：CN108129451A

  公开（公告）日：2018-06-08

  本发明属于医药技术领域，具体而言，本发明涉及一类含丙二醇噻吩酰胺类化合物、其制备方法以及在制备治疗性功能障碍、炎症性疾病、眼科疾病及呼吸系统疾病等中的应用。其中，R选自C1‑C10的烷基，C3‑C8的环烷基。
• BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20130324529A1

  公开（公告）日：2013-12-05

  The present invention is related to novel benzimidazole compounds of formula (I) having cannabinoid receptor agonistic properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals, in particular humans.

  本发明涉及具有大麻素受体激动性质的新型苯并咪唑化合物（I）的公式，包括这些化合物的药物组合物，制备这些化合物的化学过程以及它们在治疗与大麻素受体在动物中介导相关的疾病，特别是人类中的用途。
• [EN] SUBSTITUTED SILAXANTHENIUM RED TO NEAR-INFRARED FLUOROCHROMES FOR IN VITRO AND IN VIVO IMAGING AND DETECTION<br/>[FR] FLUOROCHROMES ROUGE À PROCHE-INFRAROUGE À BASE D'UN SILAXANTHÉNIUM SUBSTITUÉ POUR L'IMAGERIE ET LA DÉTECTION IN VITRO ET IN VIVO
  申请人：VISEN MEDICAL INC

  公开号：WO2014144793A1

  公开（公告）日：2014-09-18

  The invention provides a family of fluorescent compounds. The compounds are substituted silaxanthenium compounds that can be chemically linked to one or more biomolecules, such as a protein, nucleic acid, and therapeutic small molecule. The compounds can be used for imaging in a variety of medical, biological and diagnostic applications. The dyes are particularly useful for in vitro, in vivo and ex vivo imaging applications.

  这项发明提供了一类荧光化合物。这些化合物是取代硅基蒽离子化合物，可以与一个或多个生物分子（如蛋白质、核酸和治疗性小分子）在化学上连接。这些化合物可用于各种医学、生物学和诊断应用中的成像。这些染料特别适用于体外、体内和体外成像应用。
• 一种新的ASK1抑制剂及其应用
  申请人：山东轩竹医药科技有限公司

  公开号：CN110294746B

  公开（公告）日：2023-01-31

  本发明涉及通式(I)所示的化合物、其药学上可接受的盐、酯或其立体异构体。本发明还涉及该化合物的制备方法、包含该化合物的药物制剂及药物组合物。本发明的化合物能够有效抑制ASK1的氨基酸磷酸化，抑制ASK1的激活；因此能够治疗和/或预防ASK1介导的疾病及相关疾病。