4-苯氧基丁基胺 | 16728-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-苯氧基丁基胺
• 英文名称: 4-phenoxybutylamine
• 英文别名: 4-phenoxybutan-1-amine
• CAS: 16728-66-8
• 化学式: C₁₀H₁₅NO
• mdl: MFCD00031400
• 分子量: 165.235
• InChiKey: XUOBVRURUPUPHB-UHFFFAOYSA-N

物化性质

• 熔点：
  79.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  146-148 °C(Press: 17 Torr)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Phenoxybutan-1-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: 4-Phenoxybutan-1-amine
CAS number: 16728-66-8

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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: C10H15NO
Molecular weight: 165.2

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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：

  4-苯氧基丁基胺 在 sodium hydroxide 、 乙醇 、 五氯化磷 、 sodium iodide 作用下， 生成 (4-碘丁氧基)苯
  参考文献：
  名称：

  v. Braun; Beschke, Chemische Berichte, 1906, vol. 39, p. 4360

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯氧基丁基溴 在 盐酸 、 sodium azide 、 tin(ll) chloride 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 3.5h， 生成 4-苯氧基丁基胺
  参考文献：
  名称：

  合成 OFN-（4-氯丁）丁酰胺，一种从芦荟中分离的氯化酰胺

  摘要：

  原产于非洲和阿拉伯的芦荟物种传统上被当地居民用作药用植物，也是箭矢的来源 芦荟科的代表芦荟的植物化学研究表明存在氯化酰胺，即N-(4-氯丁基)丁酰胺 这是该家族中首次出现氯化化合物的报道。尽管这种天然产物结构简单，但尚未有合成报道。由于卤代化合物存在于海洋生物、藻类、地衣甚至高等植物中，因此此类化合物的制备具有当前的科学意义~因此，本报告描述了一种简短有效的 N-(4chlorobuty1) 合成方法丁酰胺 (10)。可以建议两种可能的策略，第一个是丁酰胺与 aw,w'-氯代卤代丁烷的烷基化，第二个是丁酰氯和 4-氯丁胺的缩合。使用各种碱（例如氢化钠、二异丙基氨基锂和正丁基锂）在四氢呋喃中在室温或回流下（有时在 HMPA 存在下）用 1-溴-4-氯丁烷烷基化丁酰胺的几次尝试均未成功，起始材料被恢复。第二种方法的主要困难是使用 4-卤代丁胺，因为游离胺会环化成吡咯烷或产生交联产物。由于已经描述了合成

  DOI：

  10.1080/00304940309355861

文献信息

• Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study
  作者：Alessandro Bismuto、Tristan Delcaillau、Patrick Müller、Bill Morandi

  DOI：10.1021/acscatal.0c00393

  日期：2020.4.17

  and kinetically competent catalysts for this transformation. The fleeting transmetalation intermediate has been successfully synthesized through an alternative synthetic organometallic pathway at lower temperature, allowing for in situ NMR study of the C–N bond reductive elimination step. This study addresses key factors governing the mechanism of the nickel-catalyzed Buchwald–Hartwig amination process

  在本文中，我们报道了镍1,2,2-双（二环己基膦基）乙烷（dcype）配合物用于芳基硫醚的Buchwald-Hartwig催化胺化。该方案显示了在催化条件下可耐受的各种不同官能团的广泛适用性。广泛的有机金属和动力学研究支持这种转化的镍（0）-镍（II）途径，并揭示了氧化加成配合物是催化循环的静止状态。已证明所有分离出的中间体都是这种转化的催化和动力学催化剂。通过在较低的温度下通过另一种合成的有机金属途径，已经成功合成了短暂的重金属化中间体，从而可以对C–N键的还原消除步骤进行原位NMR研究。
• [EN] AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME<br/>[FR] COMPOSÉ D'AMIDE ET AGENT D'ÉLIMINATION D'UNE MALADIE DES PLANTES L'UTILISANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009057668A1

  公开（公告）日：2009-05-07

  ABSTRACT The present invention is intended to provide a compound having an excellent controlling effect on plant diseases. An amide compound represented by the formula (1): wherein groups represented by Q, A1, G1, X1, X2, X3 and Z1 have the same meaning as defined in the description, has an excellent controlling effect on plant diseases.

  摘要 本发明旨在提供一种对植物病害具有优异控制效果的化合物。由式（1）表示的酰胺化合物：其中由Q、A1、G1、X1、X2、X3和Z1表示的基团具有与描述中定义相同的含义，对植物病害具有优异的控制效果。
• Preparation of substituted alkenoic acids
  申请人：Eli Lilly and Company

  公开号：US05849922A1

  公开（公告）日：1998-12-15

  This invention relates to a highly selective process for preparation of E-.omega.-phenyl-.omega.-(3-pyridyl)-.omega.-alkenoic acid derivatives bearing a carbamoyl substituted oxazolyl or oxazolinyl group on the phenyl ring which demonstrate utility for thromboxane receptor antagonism and/or thromboxane synthase inhibition, as well as to intermediates therefor.

  这项发明涉及一种高度选择性的过程，用于制备在苯环上带有氨甲酰基取代的噁唑基或噁唑啉基的E-ω-苯基-ω-(3-吡啶基)-ω-烯酸衍生物，该衍生物表现出对血栓素受体拮抗作用和/或血栓素合酶抑制作用的效用，以及用于制备这些衍生物的中间体。
• Carbamoyl substituted heterocycles
  申请人：Eli Lilly and Company

  公开号：US05849766A1

  公开（公告）日：1998-12-15

  This invention relates to carbamoyl substituted heterocycles which are .omega.-phenyl-.omega.-(3-pyridyl)-.omega.-alkenoic acid derivatives bearing a carbamoyl substituted oxazolyl or oxazolinyl group on the phenyl ring and which demonstrate utility for thromboxane receptor antagonism and/or thromboxane synthase inhibition, as well as pharmaceutical formulations containing them, methods for their use, and processes and intermediates for their preparation.

  这项发明涉及一种带有在苯环上带有羰胺基取代的氧唑基或氧唑烯基的.omega.-苯基-.omega.-(3-吡啶基)-.omega.-烯酸衍生物的杂环化合物，其具有对血栓素受体拮抗作用和/或血栓素合酶抑制作用的效用，以及含有它们的药物配方、它们的使用方法，以及用于它们的制备的过程和中间体。
• Facile Generation of Alkyl, Aminyl, and Alkoxy Radicals from Se-Phenyl Benzoselenohydroximate Derivatives
  作者：Sunggak Kim、Tai Lee

  DOI：10.1055/s-1997-965

  日期：1997.8

  Se-Phenyl benzoselenohydroximate derivatives, which are prepared from stable and readily available Se-phenyl benzoselenohydroximate, are useful radical precursors for the generation of alkyl, aminyl, and alkoxy radicals.

  Se-苯基苄硒羟肟酸衍生物是从稳定且易于获得的Se-苯基苄硒羟肟酸制备的，是生成烷基、氨基和烷氧基自由基的有用前体。