4-三氟甲基联苯-4-胺 | 57688-34-3

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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: 4-三氟甲基联苯-4-胺
• 中文别名: 4'-三氟甲基-联苯-4-胺
• 英文名称: 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine
• 英文别名: 4'-(trifluoromethyl)biphenyl-4-amine；4-[4-(trifluoromethyl)phenyl]aniline
• CAS: 57688-34-3
• 化学式: C₁₃H₁₀F₃N
• mdl: MFCD03424687
• 分子量: 237.224
• InChiKey: PDKIAMYXBRKPBW-UHFFFAOYSA-N

物化性质

• 沸点：
  303.1±37.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2921499090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,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: 4-[4-(Trifluoromethyl)phenyl]aniline
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-[4-(Trifluoromethyl)phenyl]aniline
CAS number: 57688-34-3

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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: C13H10F3N
Molecular weight: 237.2

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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, hydrogen fluoride.

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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：

  4-三氟甲基联苯-4-胺 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以89%的产率得到3,5-dibromo-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine
  参考文献：
  名称：

  一种含间三联苯结构二胺化合物及其合成方 法和应用

  摘要：

  本发明公开的是一种含间三联苯结构二胺化合物及其合成方法和应用。本发明利用卤代芳烃经Suzuki反应引入一个氨基后，通过溴代、重氮化、Suzuki偶联、还原得到含间三联苯结构的功能二胺化合物。该二胺化合物合成方法工艺简单，产率较高，所合成的化合物具有一定的荧光特性。本发明的二胺化合物可用于合成如聚酰胺、聚酰亚胺、聚酰胺酰亚胺和聚酯酰亚胺等高性能、功能化聚合物，特别适合于制备可溶性、无色透明并具有一定荧光特性的高性能功能聚酰亚胺材料。

  公开号：

  CN104016870B
• 作为产物：
  描述：

  1-氯-4-[4-(三氟甲基)苯基]苯 在 bis(1,5-cyclooctadiene)nickel (0) 、 (R,Sp)-CyPF-Cy 、 氨 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 16.0h， 以72%的产率得到4-三氟甲基联苯-4-胺
  参考文献：
  名称：

  镍催化氨的单芳基化

  摘要：

  结构多样的（杂）芳基氯，溴化物和甲苯磺酸盐亲电子体被用于Ni催化的氨单芳基化反应，包括化学选择性转化。所采用的JosiPhos / [Ni（cod）2 ]催化剂体系使得能够使用市售的氨气储备溶液，或在这些反应中使用氨气，从而证明了所报道方案的多功能性和潜在的可扩展性。原理验证实验证明，空气稳定的[（JosiPhos）NiCl 2 ]预催化剂可成功用于此类转化。

  DOI：

  10.1002/anie.201410875

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• 3-Hydroxypyrimidine-2,4-diones as Selective Active Site Inhibitors of HIV Reverse Transcriptase-Associated RNase H: Design, Synthesis, and Biochemical Evaluations
  作者：Jing Tang、Feng Liu、Eva Nagy、Lena Miller、Karen A. Kirby、Daniel J. Wilson、Bulan Wu、Stefan G. Sarafianos、Michael A. Parniak、Zhengqiang Wang

  DOI：10.1021/acs.jmedchem.5b01879

  日期：2016.3.24

  achieve selective RNase H inhibition. Biochemical studies showed the two subtypes with an N-1 methyl group (9 and 10) inhibited RNase H in low micromolar range without siginificantly inhibiting RT polymerase, whereas the N-1 unsubstituted subtype 11 inhibited RNase H in submicromolar range and RT polymerase in low micromolar range. Subtype 11 also exhibited substantially reduced inhibition in the HIV-1

  人类免疫缺陷病毒（HIV）逆转录酶（RT）相关的核糖核酸酶H（RNase H）仍然是未经验证的抗病毒靶标。特异性靶向HIV RNase H的主要挑战来自对RT聚合酶（pol）和整合酶（IN）链转移（ST）抑制作用的普遍缺乏选择性。我们在此报告了三种新颖的3-羟基嘧啶-2,4-二酮（HPD）亚型的合成和生化评估，这些亚型经过精心设计以实现选择性RNase H抑制。生化研究表明，具有N-1甲基的两个亚型（9和10）在低微摩尔范围内抑制RNase H，而未显着抑制RT聚合酶，而N-1未取代的亚型11在亚微摩尔范围内抑制RNase H，在低微摩尔范围内抑制RT聚合酶。亚型11在HIV-1 INST分析中也表现出明显降低的抑制作用，在细胞生存力分析中没有明显的细胞毒性，这表明它可能适合进一步的结构-活性关系（SAR），以鉴定具有抗病毒活性的RNase H抑制剂。
• Organogold(I) Phosphanes in Palladium-Catalyzed Cross-Coupling Reactions in Aqueous Media
  作者：Miguel Peña-López、Luis A. Sarandeses、José Pérez Sestelo

  DOI：10.1002/ejoc.201201720

  日期：2013.5

  Cross-coupling reaction of organogold(I) phosphanes with organic electrophiles in aqueous media has been investigated. Reactions between isolated aryl-, alkenyl-, or alkynylgold(I) phosphanes and aryl halides or triflates, alkenyl halides, and allyl acetates proceed under palladium catalysis conditions at room temperature or 80 °C in water with THF as a co-solvent. The coupling reactions give good yields

  已经研究了有机金 (I) 膦与有机亲电试剂在水性介质中的交叉偶联反应。分离的芳基-、烯基-或炔基金 (I) 膦与芳基卤化物或三氟甲磺酸酯、烯基卤化物和乙酸烯丙酯之间的反应在钯催化条件下在室温或 80 °C 的水中进行，THF 作为共溶剂。偶联反应具有良好的产率，并且具有高度通用性和化学选择性，允许在亲电子试剂中存在游离氨基或羟基。该方法用于制备取代的苯丙氨酸酯，证明金 (I) 有机金属化合物是质子条件下金属催化交叉偶联反应的合适试剂。
• Capreomycin derivatives and their use as antibacterials
  申请人：Lyssikatos P. Joseph

  公开号：US20060094644A1

  公开（公告）日：2006-05-04

  The present subject matter relates to phenylurea capreomycin derivatives, and to metabolites and pharmaceutically acceptable salts and solvates thereof. The compounds of the present subject matter are useful as antibacterial agents for treating bacterial infections and for treating disorders caused by bacterial infections. The present subject matter also relates to pharmaceutical compositions containing such compounds and to methods of treating bacterial infections by administering such compounds. The present subject matter also relates to methods of preparing such compounds.

  本发明涉及苯脲卡普霉素衍生物，以及它们的代谢物、药用可接受的盐和溶剂化物。本发明的化合物作为抗细菌剂用于治疗细菌感染和治疗由细菌感染引起的疾病。本发明还涉及包含这些化合物的药物组合物，以及通过施用这些化合物来治疗细菌感染的方法。本发明还涉及制备这些化合物的方法。
• One-Pot Palladium-Catalyzed Cross-Coupling Treble of Borylation, the Suzuki Reaction and Amination
  作者：Howard Jong、Stanley T.-C. Eey、Yee Hwee Lim、Sangeeta Pandey、Nurul Azmah Bte Iqbal、Fui Fong Yong、Edward G. Robins、Charles W. Johannes

  DOI：10.1002/adsc.201600708

  日期：2017.2.20

  A methodology for a sequential palladium‐catalyzed cross‐coupling procedure consisting of borylation, the Suzuki reaction and amination has been developed for the assembly of molecules with multi‐aryl backbones. The linchpin of this development is the meta‐terarylphosphine ligand, Cy*Phine, which has been employed as an air‐ and moisture‐stable precatalyst, Pd(Cy*Phine)2Cl2, to improve the efficiency

  已经开发了一种由硼化，Suzuki反应和胺化组成的顺序钯催化交叉偶联程序的方法，用于组装具有多芳基骨架的分子。这一发展的关键是间-叔芳基膦配体Cy * Phine，已被用作对空气和湿气稳定的前催化剂Pd（Cy * Phine）2 Cl 2，以提高一锅硼化-铃木反应的效率。此外，可以调整Pd-Cy * Phine系统的反应性，以提供一锅，硼化-铃木反应-胺化（BSA）交叉耦合的三重峰。该方法成功地整合了三个截然不同的模块化反应的互补条件。每个区段的平均产量可达到74-94％，在一个锅中，在整个三步过程中累计提供50-84％的产量。