2-(2-吡咯基)乙胺 | 40808-62-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(2-吡咯基)乙胺
• 中文别名: 1H-吡咯-2-乙胺
• 英文名称: 2-(1H-pyrrol-2-yl)ethanamine
• 英文别名: 2-(2-aminoethyl)pyrrole；2-(1H-pyrrol-2-yl)ethan-1-amine
• CAS: 40808-62-6
• 化学式: C₆H₁₀N₂
• mdl: MFCD08448797
• 分子量: 110.159
• InChiKey: IAZZNTYMXXEHHT-UHFFFAOYSA-N

物化性质

• 沸点：
  229℃
• 密度：
  1.056
• 闪点：
  115℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  41.8
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(2-Pyrrolyl)ethylamine
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: 2-(2-Pyrrolyl)ethylamine
CAS number: 40808-62-6

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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: C6H10N2
Molecular weight: 110.2

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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.

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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：

  2-(2-吡咯基)乙胺 以 二甲基亚砜 为溶剂， 反应 6.0h， 生成 4,20,21,22-Tetraazatetracyclo<15.2.1.1^7,10.1^12,15>docosa-7,9,12,14,17,19-hexaen-2,3-dion
  参考文献：
  名称：

  Bohusch, Michael; Flitsch, Wilhelm; Kneip, Heinz-Gerd, Liebigs Annalen der Chemie, 1991, # 1, p. 67 - 70

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-二甲基-1-(1H-吡咯-2-基)甲胺 在 甲醇 、 氨 、 铂 、 碘甲烷 作用下， 生成 2-(2-吡咯基)乙胺
  参考文献：
  名称：

  Pyrrolo [3,2-c]pyridines¹

  摘要：

  DOI：

  10.1021/ja01628a080

文献信息

• 一种大环内酯类化合物
  申请人：普莱柯生物工程股份有限公司

  公开号：CN105669798B

  公开（公告）日：2019-07-26

  本发明涉及一种如式Ⅰ所示的大环内酯类化合物及其药学上可接受的盐。本发明所述化合物是抗菌剂，可用于治疗各种细菌和原生动物感染。本发明还涉及所述化合物的制备方法及其药物组合物，
• [EN] SUBSTITUTED SULFONAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE SULFONAMIDES SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2009090055A1

  公开（公告）日：2009-07-23

  The invention relates to substituted sulfonamide derivatives of the general formula (I'); processes for their preparation, medicaments containing these compounds, and the use of substituted sulfonamide derivatives for the preparation of medicaments

  该发明涉及一般式（I'）的取代磺胺基衍生物，其制备方法，含有这些化合物的药物，以及用于制备药物的取代磺胺基衍生物的用途
• Efficient Pictet-Spengler Bioconjugation with <i>N</i> -Substituted Pyrrolyl Alanine Derivatives
  作者：Sebastian Pomplun、Mohamed Y. H. Mohamed、Tobias Oelschlaegel、Christian Wellner、Frank Bergmann

  DOI：10.1002/anie.201814200

  日期：2019.3.11

  significantly faster than with analogues substituted at the α‐ and β‐ position. Functionalized N‐pyrrolyl alanine derivatives can be synthesized in only 2–3 steps from commercially available materials. The small size of the reagent, the high reaction rate, and the easy synthesis make pyrrolyl alanine Pictet–Spengler (PAPS) an attractive choice for bioconjugation reactions. PAPS was shown as an efficient

  我们发现N-吡咯基丙氨酸衍生物是与含醛生物分子进行快速，选择性Pictet-Spengler反应的有效试剂。到目前为止，其他描述的醛标记方法也有一些缺点，例如水解不稳定性，反应动力学慢或标记试剂不易使用。在吡咯氮上取代的吡咯基2-乙胺的Pictet–Spengler环化速度明显快于在α-和β-位置取代的类似物。功能化氮吡咯基丙氨酸衍生物仅需2到3步即可从市售材料中合成。试剂体积小，反应速率高以及易于合成，使得吡咯基丙氨酸Pictet-Spengler（PAPS）成为生物偶联反应的诱人选择。PAPS被证明是一种用于抗体的位点选择性生物素化以及核酸衍生物缩合的有效策略，证明了该试剂的多功能性。
• Oxidative Substitution of Boranephosphonate Diesters as a Route to Post-synthetically Modified DNA
  作者：Sibasish Paul、Subhadeep Roy、Luca Monfregola、Shiying Shang、Richard Shoemaker、Marvin H. Caruthers

  DOI：10.1021/ja511145h

  日期：2015.3.11

  and then treating these oligomers with iodine and various nucleophiles. In addition, we show that this reaction is an attractive method for preparing stereodefined phosphorus-modified oligonucleotides. We have also examined the mechanism of this reaction and show that it proceeds via an iodophosphate intermediate. Beyond nucleic acids synthesis, due to the ubiquity of phosphate derivatives in natural

  将修饰引入寡核苷酸对于核酸领域的大量应用很重要。然而，固相 DNA 合成方法对掺入许多对制备合成 DNA 的条件不稳定的有用修饰提出了重大挑战。在这里我们报告硼烷膦酸二酯在被碘激活后以立体特异性方式进行容易的亲核取代。我们随后利用这种反应性将包括叠氮化物和荧光团在内的修饰后合成引入 DNA，方法是首先合成硼烷膦酸酯连接的 2'-脱氧寡核苷酸，然后用碘和各种亲核试剂处理这些寡聚物。此外，我们表明该反应是制备立体定义的磷修饰寡核苷酸的一种有吸引力的方法。我们还研究了该反应的机理，并表明它是通过碘磷酸盐中间体进行的。除了核酸合成之外，由于磷酸盐衍生物在天然化合物和治疗剂中的普遍存在，这种立体特异性反应在有机磷化学中有许多潜在的应用。
• [EN] AMIDOETHYL AZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS D'OREXINE DE TYPE AMIDOÉTHYLAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101118A1

  公开（公告）日：2016-06-30

  An amidoethyl azole compounds are provided as antagonists of orexin receptors. The compounds may be used for treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved.

  提供了一种酰胺乙基唑类化合物作为促进睡眠的受体拮抗剂。这些化合物可用于治疗或预防涉及促进睡眠受体的神经和精神障碍和疾病。