(4-苯氧基苯基)甲胺 | 169944-04-1

• 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: (4-苯氧基苯基)甲胺
• 中文别名: (4-苯氧基苯基)甲胺盐酸盐
• 英文名称: (4-phenoxyphenyl)methanamine hydrochloride
• 英文别名: (4-phenoxyphenyl)methanamine;hydrochloride
• CAS: 169944-04-1
• 化学式: C₁₃H₁₃NO*ClH
• 分子量: 235.713
• InChiKey: VHCSCKHIGGFTHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 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-Phenoxyphenyl)methanamine hydrochloride
Synonyms: 4-Phenoxybenzylamine, HCl

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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-Phenoxyphenyl)methanamine hydrochloride
CAS number: 169944-04-1

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C13H14ClNO
Molecular weight: 235.7

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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, hydrogen chloride.

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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-苯氧基苯基)甲胺 、 环丁基甲酸 在 1-羟基苯并三唑 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以0.70 g (96%)的产率得到N-(4-phenoxybenzyl)cyclobutanecarboxamide
  参考文献：
  名称：

  Inhibitors of squalene synthetase and protein farnesyltransferase

  摘要：

  本发明提供了一种化合物的公式 ##STR1##，它抑制了角鲨烯合酶和胆固醇生物合成，并且在治疗高脂血症、动脉粥样硬化或真菌感染等方面具有用途，以及用于制备该发明化合物的方法、这些方法中有用的中间体，以及含有这些化合物的药物组合物。

  公开号：

  US05783593A1
• 作为产物：
  描述：

  4-苯氧基苯腈 在 ammonium hydroxide 、 氢气 、 盐酸 作用下， 以 异丙醇 、 1,4-二氧六环 为溶剂， 150.0 ℃ 、4.0 MPa 条件下， 以94%的产率得到(4-苯氧基苯基)甲胺
  参考文献：
  名称：

  碳化镍纳米颗粒催化剂用于腈选择性加氢生成伯胺

  摘要：

  本研究展示了使用明确的纳米晶碳化镍（纳米 Ni 3 C）催化剂对腈进行选择性加氢来生产伯胺。氧化铝负载的纳米Ni 3 C（纳米Ni 3 C/Al 2 O 3 ）表现出高催化活性和广泛的底物范围，即使在1以下，各种（杂）芳香族和脂肪族腈也能提供相应的伯胺。 H 2条。

  DOI：

  10.1002/chem.202303573

文献信息

• Boron-Catalyzed Silylative Reduction of Nitriles in Accessing Primary Amines and Imines
  作者：Narasimhulu Gandhamsetty、Jinseong Jeong、Juhyeon Park、Sehoon Park、Sukbok Chang

  DOI：10.1021/acs.joc.5b00941

  日期：2015.7.17

  Silylative reduction of nitriles was studied under transition metal-free conditions by using B(C6F5)3 as a catalyst with hydrosilanes as a reductant. Alkyl and (hetero)aryl nitriles were efficiently converted to primary amines or imines under mild conditions. The choice of silanes was found to determine the selectivity: while a full reduction of nitriles was highly facile, the use of sterically bulky

  在无过渡金属的条件下，通过使用B（C 6 F 5）3作为催化剂，以氢硅烷作为还原剂，研究了腈的甲硅烷基化还原反应。在温和的条件下，烷基和（杂）芳基腈被有效地转化为伯胺或亚胺。发现硅烷的选择决定了选择性：虽然腈的完全还原非常容易，但是使用空间大体积的硅烷允许部分还原，从而生成N-甲硅烷基亚胺。
• HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS
  申请人：INTEGRAL BIOSCIENCES PRIVATE LIMITED

  公开号：US20200206233A1

  公开（公告）日：2020-07-02

  The present disclosure relates generally to compounds useful in treatment of conditions associated with mutant isocitrate dehydrogenase (mt-IDH), particularly mutant IDH1 enzymes. Specifically, the present invention discloses compound of formula (IA), which exhibits inhibitory activity against mutant IDH1 enzymes. Method of treating conditions associated with excessive activity of mutant IDH1 enzymes with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本公开涉及一般用于治疗与突变异柠檬酸脱氢酶（mt-IDH）相关的疾病的化合物，特别是突变IDH1酶。具体地，本发明揭示了式（IA）的化合物，该化合物对突变IDH1酶表现出抑制活性。还公开了使用该化合物治疗与突变IDH1酶过度活性相关的疾病的方法。此外，还公开了其用途、药物组合物和试剂盒。
• Thiol compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06420415B1

  公开（公告）日：2002-07-16

  Compounds represented by general formula (1) or salts thereof which have a matrix metalloprotease inhibitory activity and are useful as drugs, wherein the rings A and B represent each an optionally substituted homocycle or heterocycle, etc.; R1s are the same or different and each represents hydrogen, optionally substituted hydrocarbyl, acyl, etc.; X1 represents a bond, optionally substituted divalent aliphatic hydrocarbyl, etc.; X2 represents a bond, optionally substituted divalent aliphatic hydrocarbyl, —O—, etc.; Ys are the same or different represents hydrogen, optionally substituted hydrocarbyl, oxo, etc.; m is 0 or 1; n is an integer of 1 to 3; q1 is an integer of 1 to 2n+4; and q2 is an integer of 0 to 2n+3, provided that q1+q2 is 2n+4.

  通式（1）表示的化合物或其盐具有基质金属蛋白酶抑制活性，并且可用作药物，其中环A和环B分别表示可选择取代的同环或异环等；R1s相同或不同，每个代表氢，可选择取代的烃基，酰基等；X1表示键，可选择取代的二价脂肪烃基等；X2表示键，可选择取代的二价脂肪烃基，—O—等；Ys相同或不同，代表氢，可选择取代的烃基，氧代，等；m为0或1；n为1到3的整数；q1为1到2n+4的整数；q2为0到2n+3的整数，前提是q1+q2为2n+4。
• Synthesis of Molybdenum Pincer Complexes and Their Application in the Catalytic Hydrogenation of Nitriles
  作者：Thomas Leischner、Anke Spannenberg、Kathrin Junge、Matthias Beller

  DOI：10.1002/cctc.202000736

  日期：2020.9.17

  series of molybdenum(0), (I) and (II) complexes ligated by different PNP and NNN pincer ligands were synthesized and structurally characterized. Along with previously described Mo−PNP complexes Mo‐1 and Mo‐2, all prepared compounds were tested in the catalytic hydrogenation of aromatic nitriles to primary amines. Among the applied catalysts, Mo‐1 is particularly well suited for the hydrogenation of electron‐rich

  合成了一系列由不同的PNP和NNN钳形配体连接的钼（0），（I）和（II）配合物，并对其结构进行了表征。连同先前描述的Mo-PNP配合物Mo-1和Mo-2，在芳族腈催化加氢成伯胺的过程中测试了所有制备的化合物。在应用的催化剂中，Mo-1特别适合于富电子的苄腈的氢化。另外，将两种脂肪族腈分别以80％和86％转化为所需产物。此外，还分离出了催化中间体Mo-1a，随后证明了其在催化循环中的作用。
• Rapid Continuous Ruthenium-Catalysed Transfer Hydrogenation of Aromatic Nitriles to Primary Amines
  作者：Ricardo Labes、Davir González-Calderón、Claudio Battilocchio、Carlos Mateos、Graham Cumming、Oscar de Frutos、Juan Rincón、Steven Ley

  DOI：10.1055/s-0036-1589096

  日期：2017.12

  A continuous flow method for the selective reduction of aromatic nitriles to the corresponding amine is reported. The method is based on a ruthenium-catalysed transfer-hydrogenation process, requires no additives, and uses isopropanol as both solvent and reducing agent. The process utilizes 1 mol% of the commercially available [Ru( p -cymene)Cl 2 ] 2 , with a residence time of ca. 9 min, and a throughput

  报道了一种将芳香腈选择性还原为相应胺的连续流动方法。该方法基于钌催化的转移加氢过程，不需要添加剂，并使用异丙醇作为溶剂和还原剂。该工艺使用 1 mol% 的市售 [Ru(p-cymene)Cl 2 ] 2 ，停留时间约为 9 分钟，吞吐量为 50 毫摩尔/小时。该方法成功应用于一系列芳族腈，以良好的收率提供相应的伯胺。