N-乙基-2-噻吩甲胺 | 58255-25-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-乙基-2-噻吩甲胺
• 中文别名: N-乙基-2-噻吩基甲胺
• 英文名称: N-ethyl-N-thenylamine
• 英文别名: ethyl-[2]thienylmethyl-amine；Thenyl-(2)-ethylamin；ethyl-thiophen-2-ylmethyl-amine；Aethyl-[2]thienylmethyl-amin；N-(thiophen-2-ylmethyl)ethanamine；N-Ethyl-(2-thienylmethyl)amine
• CAS: 58255-25-7
• 化学式: C₇H₁₁NS
• mdl: MFCD04478205
• 分子量: 141.237
• InChiKey: LZRQTSDHULJXBN-UHFFFAOYSA-N

物化性质

• 沸点：
  191.6±15.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  40.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Ethyl-(2-thienylmethyl)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: N-Ethyl-(2-thienylmethyl)amine
CAS number: 58255-25-7

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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.
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: C7H11NS
Molecular weight: 141.2

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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：

  N-乙基-2-噻吩甲胺 在 N-氯代丁二酰亚胺 作用下， 以 正戊烷 为溶剂， 生成 N-chloro-N-(thiophen-2-ylmethyl)ethanamine
  参考文献：
  名称：

  MeONa-MeOH和Et 2 NH-MeCN促进的N-烷基-N-氯噻吩胺的消除反应。β-芳基对亚胺形成过渡态的影响

  摘要：

  的消除反应ñ -烷基- ñ -chlorothenylamines 1 - 4用的MeONa -甲醇和Et 2 NH-MeCN中已经研究了动力学。消除反应是区域特异性的，仅产生缀合的亚胺。该反应是二阶反应，并显示出Hammettρ和k H / k D的实质值，并且E2机理很明显。MeONa-MeOH对Me / Et / i- Pr / t- Bu取代基的相对消除速率为1 / 0.5 / 0.2 / 0.02，对Et 2为1 / 0.4 / 0.2 / 0.06NH-MeCN。随着碱从MeONa-MeOH变为Et 2 NH-MeCN ，过渡态结构朝着更多产物的方向变化。与现有数据的比较表明，过渡态的结构对β-芳基基团的变化相对不敏感。

  DOI：

  10.1021/jo050368k
• 作为产物：
  描述：

  N-乙基噻吩-2-甲酰胺 在 bis(cyclopentadienyl)dihydrozirconium 、 频那醇硼烷 、 盐酸 作用下， 以 乙醚 、 水 为溶剂， 反应 2.0h， 以91%的产率得到N-乙基-2-噻吩甲胺
  参考文献：
  名称：

  氢化锆催化的酰胺位点选择性硼氢化反应合成胺：机理、范围和应用

  摘要：

  开发用于选择性合成胺的温和高效的催化方法是一个长期的研究目标。在这方面，催化脱氧酰胺还原已被证明是有前途但具有挑战性的，因为这种方法需要选择性的 C-O 键裂解。在此，我们报告了伯、仲和叔酰胺在室温下由地球丰富的金属催化剂 Zr-H 催化的选择性硼氢化反应，以获取不同的胺。各种易于还原的官能团，如酯、炔烃和烯烃，都具有良好的耐受性。此外，该方法还扩展到生物和药物衍生胺的合成。详细的机理研究揭示了一个反应途径，通过一个不寻常的 C-N 键断裂-重整过程形成醛和酰胺复合物，然后是 C-O 键断裂。

  DOI：

  10.1016/s1872-2067(21)63853-6

文献信息

• 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS
  申请人：Dos Santos Victor

  公开号：US20070021609A1

  公开（公告）日：2007-01-25

  The invention relates to substituted (4-phenylpiperazin-1-yl)acylpiperidine derivatives of formula (I) in the form of a base or an addition salt with an acid, and also in the form of a hydrate or solvate, and their preparation process and therapeutic application.

  这项发明涉及以碱或酸的加成盐形式存在的取代(4-苯基哌嗪-1-基)酰基哌啶衍生物（I）以及以水合物或溶剂合物形式存在的这些衍生物，以及它们的制备过程和治疗应用。
• Copper-Catalyzed Diamination of Unactivated Alkenes With Electron-Rich Amino Sources
  作者：Yang Li、Arshad Ali、Junchao Dong、Yu Zhang、Lili Shi、Qun Liu、Junkai Fu

  DOI：10.1021/acs.orglett.1c01313

  日期：2021.5.21

  The catalytic intermolecular diamination of unactivated alkenes with electron-rich amino sources is a challenge. Herein, by employing a directing-group strategy, a copper-catalyzed diamination of unactivated alkenes was realized. Symmetrical diamines were efficiently produced in a highly diastereoselective manner with readily available dialkylamines as amino sources, while a one-pot and two-step operation

  用富含电子的氨基源催化未活化烯烃的分子间胺化反应是一个挑战。在此，通过采用直接基团策略，实现了铜催化的未活化烯烃的重整。对称的二胺以高度非对映选择性的方式有效地生产，使用容易获得的二烷基胺作为氨基源，而一步法和两步操作对于生产不对称的二胺是必需的。提出这些反应通过叠氮鎓中间体进行。
• Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling agents
  作者：Alain Noncovich、Chad Priest、Jane Ung、Andrew P. Patron、Guy Servant、Paul Brust、Nicole Servant、Nathan Faber、Hanghui Liu、Nicole S. Gonsalves、Tanya L. Ditschun

  DOI：10.1016/j.bmcl.2017.04.003

  日期：2017.8

  The paper presents the activity trends for a novel series of phenoxyacetyl amides as human TRPM8 receptor agonists. This series encompasses in vitro activity values ranging from the micromolar to the picomolar levels. Sensory evaluation of these molecules highlights their relevance as cooling agents for oral applications. The positive outcome of the complete evaluation of N-(1H-pyrazol-3-yl)-N-(th

  本文介绍了一系列新型的苯氧基乙酰酰胺作为人类TRPM8受体激动剂的活性趋势。该系列涵盖了从微摩尔到皮摩尔水平的体外活性值。这些分子的感官评估突显了它们作为口腔用清凉剂的重要性。对N-（1H-吡唑-3-基）-N-（噻吩-2-基甲基）-2-（对甲苯氧基）乙酰胺进行全面评估的积极结果导致批准了公认的安全（GRAS）调味品和提取物制造商协会（FEMA）的状态为FEMA 4809。
• MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE
  申请人：Durand-Reville Thomas

  公开号：US20110021513A1

  公开（公告）日：2011-01-27

  The present invention relates to modulators of IRAK kinase and provides compositions comprising such modulators, as well as methods therewith for treating conditions or diseases mediated by or associated with IRAK kinase.

  本发明涉及IRAK激酶的调节剂，并提供包含这些调节剂的组合物，以及利用这些调节剂治疗由IRAK激酶介导或相关的疾病或病症的方法。
• THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE
  申请人：Faghih Ramin

  公开号：US20080070929A1

  公开（公告）日：2008-03-20

  The invention relates to a series of thiazoline and oxazoline derivatives, compositions thereof, and methods of treating conditions and disorders using such compounds.

  这项发明涉及一系列噻唑啉和噁唑啉衍生物，其组成物和利用这些化合物治疗疾病和疾病的方法。