2-苄基-1-乙胺 | 38336-04-8

• 物质功能分类: 有机原料 - 氨基化合物 - 无环单胺、多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苄基-1-乙胺
• 中文别名: 2-苄氧乙胺；2-苄氧基-1-乙胺；2-苄氧基乙胺
• 英文名称: O-benzylethanolamine
• 英文别名: 2-benzyloxyethylamine；2-(benzyloxy)ethanamine；2-(benzyloxy)ethan-1-amine；benzyloxyethylamine；2-(benzyloxy)-1-ethanamine；2-(phenylmethoxy)ethanamine；2-(phenylmethoxy)ethylamine；2-phenylmethoxyethanamine
• CAS: 38336-04-8
• 化学式: C₉H₁₃NO
• mdl: MFCD00235180
• 分子量: 151.208
• InChiKey: XJGVVOAKITWCAB-UHFFFAOYSA-N

物化性质

• 沸点：
  241℃
• 密度：
  1.45
• 闪点：
  85℃
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 海关编码：
  2922199090
• 包装等级：
  III
• 危险品运输编号：
  UN 3267
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H314
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(Benzyloxy)-1-ethanamine
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-(Benzyloxy)-1-ethanamine
CAS number: 38336-04-8

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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: C9H13NO
Molecular weight: 151.2

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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-苄基-1-乙胺 在 吡啶 、 phenyl-λ³-iodanediyl bis(3-chlorobenzoate) 、 碘 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 2-phenyl-3-tosyloxazolidine
  参考文献：
  名称：

  碘催化的霍夫曼-洛夫勒反应

  摘要：

  碘试剂已被确认为过渡金属的经济和生态上的良性替代品，尽管它们在挑战CH氧化反应中作为分子催化剂的应用仍然难以捉摸。现在显示出有吸引力的碘氧化催化作用，以前所未有的完全选择性促进了碳氢键向碳氮键的便捷转化。该反应通过包括自由基链反应的两个互锁的催化循环进行，该自由基链反应由可见光作为能源引发。用于烷基的直接氧化胺化的这种非常规的合成策略没有生物合成优先权，并且提供了对一般类别的饱和氮化杂环的有效且直接的途径。

  DOI：

  10.1002/anie.201501122
• 作为产物：
  描述：

  苄基-2-氯乙醚 在 镍 sodium azide 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 生成 2-苄基-1-乙胺
  参考文献：
  名称：

  Selective Reduction of Azides. Improved Preparation of α,α-Disubstituted Benzylamines

  摘要：

  DOI：

  10.1055/s-1978-24654

文献信息

• [EN] SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS<br/>[FR] CARBOXAMIDES N-HÉTÉROCYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA CÉRAMIDASE ACIDE ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：BIAL BIOTECH INVEST INC

  公开号：WO2021055627A1

  公开（公告）日：2021-03-25

  The invention provides substituted N-heterocyclic carboxamides and related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat a medical disorder, e.g., cancer, lysosomal storage disorder, neurodegenerative disorder, inflammatory disorder, in a patient.

  这项发明提供了替代的N-杂环羧酰胺和相关化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的医疗疾病（例如癌症、溶酶体贮积症、神经退行性疾病、炎症性疾病）的方法。
• [EN] PENICILLIN-BINDING PROTEIN INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE DE LIAISON À LA PÉNICILLINE
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2019226931A1

  公开（公告）日：2019-11-28

  Described herein are certain boron-containing compounds, compositions, preparations and their use as modulators of the transpeptidase function of bacterial penicillin-binding proteins and as antibacterial agents. In some embodiments, the compounds described herein inhibit penicillin-binding proteins. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

  本文描述了某些含硼化合物、组合物、制剂及其作为细菌青霉素结合蛋白的跨肽酶功能调节剂和抗菌剂的用途。在某些实施例中，本文描述的化合物抑制青霉素结合蛋白。在某些实施例中，本文描述的化合物在治疗细菌感染方面是有用的。
• Construction of <i>N</i>-Alkyl- and <i>N</i>-Arylaziridines from Unprotected Amines via C–H Oxidative Amination Strategy
  作者：Yang Yu、Meijuan Li、Yong Zhang、Yonghai Liu、Lei Shi、Wei Wang、Hao Li

  DOI：10.1021/acs.orglett.8b03799

  日期：2019.2.15

  A copper-promoted intramolecular C–H oxidative amination reaction between secondary amine (N–H) and C(sp3)–H at the benzylic position of azaarenes or α-position of ketones for the synthesis of aziridine derivatives has been developed. Moreover, a practical annulation of electron-deficient vinylarenes with an unprotected primary alkyl amine by a Yb(OTf)3–CuI relay system has also been reported. The

  在氮杂芳烃的苄基位置或酮的α位上的仲胺（NH ）与C（sp 3）-H之间的铜促进的分子内CH-H氧化胺化反应已经开发出来，用于合成氮丙啶衍生物。此外，也已经报道了通过Yb（OTf）3 -CuI中继系统用未保护的伯烷基胺对缺电子的乙烯基芳烃进行实际的环氧化反应。用氧气作为唯一氧化剂进行反应，以高收率得到N-烷基-和N-芳基氮丙啶。
• [EN] ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS<br/>[FR] ACIDES ALKYLBORONIQUES EN TANT QU'INHIBITEURS D'ARGINASE
  申请人：GUANGDONG NEWOPP BIOPHARMACEUTICALS CO LTD

  公开号：WO2020160707A1

  公开（公告）日：2020-08-13

  Provided are alkylboronic acids as arginase inhibitors represented by formula (I), or a pharmaceutically acceptable salt, stereoisomer, tautomer, or prodrug thereof and a pharmaceutical composition comprising said compounds.

  提供的是以化学式(I)表示的烷基硼酸作为精氨酸酶抑制剂，或其药用可接受的盐、立体异构体、互变异构体或前药，以及包含该化合物的药物组合物。
• COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION
  申请人：Smith Jonathan D.

  公开号：US20130158112A1

  公开（公告）日：2013-06-20

  A pharmaceutical composition for inhibiting amyloid beta peptide in a subject includes a compound having the formula (I): where M is selected from a substituted or unsubstituted alkyl, halo, alkoxy, aryl, cyclic, or heterocyclic group; p is an integer from 0-3; X 1 is a 3-9 atoms in length linker connecting A and B; B is selected from a substituted or unsubstituted aryl, alkoxy or amine group; and a pharmaceutically acceptable salt thereof; and a pharmaceutical carrier.

  一种用于抑制受体内淀粉样蛋白β的药物组合物包括具有以下式(I)的化合物： 其中M从取代或未取代的烷基、卤素、烷氧基、芳基、环状或杂环基中选择； p是0-3之间的整数； X1是一个连接A和B的长度为3-9个原子的连接物； B从取代或未取代的芳基、烷氧基或胺基中选择；以及其药学上可接受的盐；和药用载体。