5-氨基-3-甲基-2-噻吩羧酸乙酯 | 88796-28-5

• 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-氨基-3-甲基-2-噻吩羧酸乙酯
• 中文别名: 2-羧酸乙酯-3-甲基-6-氨基噻吩
• 英文名称: ethyl 5-amino-3-methylthiophene-2-carboxylate
• CAS: 88796-28-5
• 化学式: C₈H₁₁NO₂S
• mdl: MFCD02257685
• 分子量: 185.247
• InChiKey: QMRFJZLWZKXXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 5-amino-3-methylthiophene-2-carboxylate
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: Ethyl 5-amino-3-methylthiophene-2-carboxylate
CAS number: 88796-28-5

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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: C8H11NO2S
Molecular weight: 185.2

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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, 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-氨基-3-甲基-2-噻吩羧酸乙酯 在 一水合肼 作用下， 反应 2.0h， 以60%的产率得到6-Hydrazino-4-methyl-3-pyridazincarbohydrazid
  参考文献：
  名称：

  Gewald, Karl; Hain, Ute; Gruner, Margit, Chemische Berichte, 1988, vol. 121, p. 573 - 576

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氨基-3-甲基噻吩-2-羧酸乙酯盐酸盐 在 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以98%的产率得到5-氨基-3-甲基-2-噻吩羧酸乙酯
  参考文献：
  名称：

  WO2008/127349

  摘要：

  公开号：

文献信息

• Imidazopyrazines as protein kinase inhibitors
  申请人：Zhao Lianyun

  公开号：US20070117804A1

  公开（公告）日：2007-05-24

  In its many embodiments, the present invention provides a novel class of imidazopyrazine compounds as inhibitors of protein and/or checkpoint kinases, methods of preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of preparing pharmaceutical formulations including one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the protein or checkpoint kinases using such compounds or pharmaceutical compositions.

  本发明的多种实施例提供了一类新型的咪唑吡嗪化合物，作为蛋白质和/或检查点激酶的抑制剂，包括制备这类化合物的方法、包含一个或多个这类化合物的药物组合物、制备包含一个或多个这类化合物的药物制剂的方法，以及使用这类化合物或药物组合物治疗、预防、抑制或改善与蛋白质或检查点激酶相关的一个或多个疾病的方法。
• Reactions of 3-(Polyfluoroacyl)chromenones with Heterocyclic Amines: Novel Synthesis of Polyfluoroalkyl-Containing Fused Pyridines
  作者：Viktor Iaroshenko、Anton Kotljarov、Dmitriy Volochnyuk、Roman Irgashev、Vyacheslav Sosnovskikh

  DOI：10.1055/s-0029-1216995

  日期：2009.11

  The selectivity of the reactions of 3-(polyfluoroacyl)-4H-chromen-4-ones with a wide range of aminoheterocycles and arylamines has been evaluated. The method described facilitates access to polyfluoroalkyl-containing fused pyridines. aminoheterocycles - arylamines - condensation - chroman-4-ones - polyfluoroalkyl - fused pyridines

  的3-（polyfluoroacyl）-4的反应的选择性ħ -苯并吡喃-4-酮与各种氨基杂环和芳基胺的已经被评价。所述方法有助于获得含多氟烷基的稠合吡啶。 氨基杂环-芳胺-缩合-苯并吡喃-4-酮-多氟烷基-稠合吡啶
• Chlorotrimethylsilane-Mediated Synthesis of Functionalized Fused Pyridines: Reaction of 3-Formylchromones with Electron-Rich Aminoheterocycles
  作者：Dmitriy Volochnyuk、Sergey Ryabukhin、Andrey Plaskon、Andrey Tolmachev

  DOI：10.1055/s-2007-983704

  日期：2007.6

  The reaction of 3-formylchromones with aminoheterocycles was investigated. A simple and flexible general procedure for annulation of 5-(2-hydroxybenzoyl)pyridines was proposed. The best reaction conditions were found to be heating the reaction mixture in DMF in the presence of Me 3 SiCl as a promoter and water as scavenger.

  研究了 3-甲酰基色酮与氨基杂环的反应。提出了一种简单灵活的 5-(2-羟基苯甲酰基) 吡啶环化的通用程序。发现最好的反应条件是在作为促进剂的 Me 3 SiCl 和作为清除剂的水存在下在 DMF 中加热反应混合物。
• Interaction of Izatins with Some Five-membered Aminoheterocycles
  作者：Alexei O. Pushechnikov、Dmitrii M. Volochnyuk、Andrei A. Tolmachev

  DOI：10.1055/s-2002-32573

  日期：——

  5-Aminopyrazoles react with izatins giving 3-(5-aminopyrazol-3-yl)-3-hydroxy-2-oxindolines in high yield. Analogously izatins react with 5-aminoisoxazole and 2-aminofuran. Under those conditions 2-aminothiophene reacts yielding 3-(thien-2-ylimino)-2-oxindoline.

  5-氨基吡唑与异唑类化合物反应，以高产率生成3-(5-氨基吡唑-3-基)-3-羟基-2-氧吲哚啉。类似地，异唑与5-氨基异恶唑和2-氨基呋喃反应。在这些条件下，2-氨基噻吩反应生成3-(噻吩-2-亚基)-2-氧吲哚啉。
• Methods for inhibiting protein kinases
  申请人：Guzi J. Timothy

  公开号：US20070105864A1

  公开（公告）日：2007-05-10

  The present invention provides methods for inhibiting protein kinases selected from the group consisting of AKT, Checkpoint kinase, Aurora kinase, Pim-1 kinase, and tyrosine kinase using imidazo[1,2-a]pyrazine compounds and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with protein kinases using such compounds.

  本发明提供了利用咪唑并[1,2-a]吡嗪化合物抑制来自AKT、检查点激酶、枢纽激酶、Pim-1激酶和酪氨酸激酶的蛋白激酶的方法，以及利用这些化合物治疗、预防、抑制或改善与蛋白激酶相关的一种或多种疾病的方法。