4-(1',1',2',2'-四氟乙氧基)苯胺 | 713-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(1',1',2',2'-四氟乙氧基)苯胺
• 中文别名: 4-(1,1,2,2-四氟乙氧基)苯胺
• 英文名称: 4-(1,1,2,2-tetrafluoroethoxy)aniline
• 英文别名: 4-(1,1,2,2-Tetrafluorethoxy)-anilin；4-(1,1,2,2-Tetrafluoraethoxy)-anilin；(1,1,2,2-Tetrafluoraethyl)-(4-amino-phenyl)-aether；4-(1,1,2,2-tetrafluoroethoxy)benzeneamine；4-(1,1,2,2-tetrafluoroethoxy)phenylamine；4-aminotetrafluoroethoxybenzene；4-tetrafluoroethoxy-aniline
• CAS: 713-62-2
• 化学式: C₈H₇F₄NO
• mdl: MFCD00042377
• 分子量: 209.143
• InChiKey: ZQQSVTYLRGGCEI-UHFFFAOYSA-N

物化性质

• 沸点：
  104-108°C 11mm
• 密度：
  1,38 g/cm3
• 稳定性/保质期：
  远离强氧化剂和强酸。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  T,Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2922299090
• 储存条件：
  应将物品存放在密封容器中，并放置在阴凉、干燥处。储藏地点须远离氧化剂和火源。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(1,1,2,2-Tetrafluoroethoxy)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-(1,1,2,2-Tetrafluoroethoxy)aniline
CAS number: 713-62-2

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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: C8H7F4NO
Molecular weight: 209.1

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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-(1',1',2',2'-四氟乙氧基)苯胺 在 盐酸 、 三乙胺 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 乙醚 、 乙醇 、 2-氯-3,5-二硝基三氟甲苯 为溶剂， 以54.9%的产率得到2,4-二硝基-N-(4-(1,1,2,2-四氟乙氧基)苯基)-6-(三氟甲基)苯胺
  参考文献：
  名称：

  Benzenamines, formulations, and fungicidal method

  摘要：

  N-硝基苯基-(四氟乙氧基)-苯胺是一种有用的杀真菌剂、抗球虫剂和外寄生虫剂，此外还是杀虫剂。

  公开号：

  US04304791A1
• 作为产物：
  描述：

  四氟乙烯 、 N-(cyclohexylidene)-4-hydroxyaniline 在 盐酸 、 对苯二酚 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(1',1',2',2'-四氟乙氧基)苯胺
  参考文献：
  名称：

  Cyanoacetamido-derivatives having a fungicidal activity

  摘要：

  一种通过使用具有以下式的化合物来对抗真菌感染的方法：其中：R为H，C.sub.1 -C.sub.4烷基，烯基或炔基基团；n为1或2；A代表C.sub.1 -C.sub.6烷基桥，芳基或杂环桥；X代表O，S，SO，SO.sub.2；R.sup.1从以下组中选择：C.sub.1 -C.sub.6烷基基团，苯基基团，可选择取代的聚氟烷基基团，含有1至4个碳原子和至少2个氟原子的聚氟烯基基团，含有2至4个碳原子和至少2个氟原子的聚氟烯基基团，但不包括具有式(I)的化合物，其中A是烷基基团，n是2，R.sup.1是C.sub.1 -C.sub.6烷基基团。

  公开号：

  US04874786A1
• 作为试剂：
  描述：

  4-(1,1,2,2-四氟乙氧基)硝基苯 、 乙醇 在 钯 4-(1',1',2',2'-四氟乙氧基)苯胺 、 溶剂黄146 、 乙酸酐 、 水 作用下， 20.0~50.0 ℃ 、13.51 MPa 条件下， 反应 1.5h， 以56 g (97% of theoretical) of N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-acetamide of m.p. 121°-122° C. are obtained的产率得到N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-acetamide
  参考文献：
  名称：

  Fluoroalkoxy substituted benzimidazoles useful as gastric acid secretion

  摘要：

  式I的二烷氧基吡啶化合物##STR1## 其中R1为1-3C-烷基，完全或主要被氟取代，或氯二氟甲基基团，R1'为氢，卤素，三氟甲基，1-3C-烷基，或1-3C-烷氧基，可选择完全或主要被氟取代，或R1和R1'与R1键合的氧原子一起为1-2C-烷二氧基，可选择完全或部分被氟取代，或氯三氟乙烯二氧基，R3为1-3C-烷氧基，R2和R4中的一个为1-3C-烷氧基，另一个为氢原子或1-3C-烷基，n为0或1，以及其盐是一种具有明显保护胃作用的新化合物。公开了制备这些化合物的方法，含有它们的药物以及它们的用途，以及中间体化合物及其用于制备所述二烷氧基吡啶化合物的用途。

  公开号：

  US04758579A1

文献信息

• RECEPTOR FUNCTION REGULATING AGENT
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1810677A1

  公开（公告）日：2007-07-25

  The present invention relates to a GPR40 receptor function regulator comprising a fused imidazole compound represented by the formula: wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof. The GPR40 receptor function regulator is useful as an agent for the prophylaxis or treatment of obesity, hyperinsulinemia, type 2 diabetes and the like.

  本发明涉及一种GPR40受体功能调节剂，其包括由下式表示的融合咪唑化合物： 其中每个符号如规范中定义，或其盐或前药。该GPR40受体功能调节剂可用作预防或治疗肥胖、高胰岛素血症、2型糖尿病等的药剂。
• Novel amides useful for treating pain
  申请人：Zheng Zhu Guo

  公开号：US20050080095A1

  公开（公告）日：2005-04-14

  The present invention relates to compounds of formula (I-VII) or a pharmaceutically acceptable salt or prodrug thereof, in which A, L, R 6 , R 7 and R 8 are defined herein. The present invention also relates to methods of trating pain using these compounds and pharmaceutical compositions including these compounds.

  本发明涉及式(I-VII)的化合物或其药用可接受的盐或前药，其中A、L、R6、R7和R8在此有所定义。本发明还涉及使用这些化合物治疗疼痛的方法以及包含这些化合物的药物组合物。
• 6-Amino[1,2,5]oxadiazolo[3,4-<i>b</i>]pyrazin-5-ol Derivatives as Efficacious Mitochondrial Uncouplers in STAM Mouse Model of Nonalcoholic Steatohepatitis
  作者：Joseph M. Salamoun、Christopher J. Garcia、Stefan R. Hargett、Jacob H. Murray、Sing-Young Chen、Martina Beretta、Stephanie J. Alexopoulos、Divya P. Shah、Ellen M. Olzomer、Simon P. Tucker、Kyle L. Hoehn、Webster L. Santos

  DOI：10.1021/acs.jmedchem.0c00542

  日期：2020.6.11

  mitochondrial uncouplers have recently garnered great interest for their potential in treating nonalcoholic steatohepatitis (NASH). In this study, we report the structure–activity relationship profiling of a 6-amino[1,2,5]oxadiazolo[3,4-b]pyrazin-5-ol core, which utilizes the hydroxy moiety as the proton transporter across the mitochondrial inner membrane. We demonstrate that a wide array of substituents is tolerated

  小分子线粒体解偶联剂最近因其在治疗非酒精性脂肪性肝炎（NASH）方面的潜力而引起了人们的极大兴趣。在这项研究中，我们报告了 6-氨基[1,2,5]恶二唑并[3,4- b ]pyrazin-5-ol 核心的结构-活性关系分析，该核心利用羟基部分作为跨膜的质子转运蛋白。线粒体内膜。我们证明，这种新型支架可以耐受多种取代基，该支架可以通过耗氧率的变化作为读数来增加体外细胞代谢率。特别是，化合物SHS4121705 ( 12i ) 在 L6 成肌细胞中表现出 4.3 μM 的 EC 50 ，并且在小鼠中表现出优异的口服生物利用度和肝脏暴露。在 NASH 的 STAM 小鼠模型中，给予 25 mg kg –1天–1的12i降低了肝脏甘油三酯水平，并改善了肝脏标志物，如丙氨酸氨基转移酶、NAFLD 活动评分和纤维化。重要的是，没有观察到体温或食物摄入量的变化。作为 NASH 的潜在治疗方法，线粒体解偶联剂显示出未来发展的前景。
• Optically Active Antifungal Azoles. VI. Synthesis and Antifungal Activity of N-((1R,2R)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-N'-(4-substituted phenyl)-3(2H,4H)-1,2,4-triazolones and 5(1H,4H)-tetrazolones.
  作者：Tomoyuki KITAZAKI、Norikazu TAMURA、Akihiro TASAKA、Yoshihiro MATSUSHITA、Ryogo HAYASHI、Kenji OKONOGI、Katsumi ITOH

  DOI：10.1248/cpb.44.314

  日期：——

  A new series of optically active antifungal azoles, N-[(1R, 2R)-2-(2, 4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1, 2, 4-triazol-1-yl)propyl]-N'-(4-substituted phenyl)-3(2H, 4H)-1, 2, 4-triazolones (1, 2) and 5(1H, 4H)-tetrazolones (3), were prepared from the triflate derivative of (1S)-1-[(2R)-2-(2, 4-difluorophenyl)-2-oxiranyl]ethanol (13) by an SN2 displacement reaction with the anion of an azolone (17-19) and subsequent ring-opening reaction with 1H-1, 2, 4-triazole. The optically active oxiranylethanol 13 was synthesized from methyl (R)-lactate in a stereo-controlled manner. The azolones 1-3 prepared showed potent antifungal activities in vitro and in vivo.

  通过(1S)-1-[(2R)-2-(2,4-二氟苯基)-2-环氧乙烷基]乙醇的三氟甲磺酸酯衍生物与一种吖唑酮阴离子经SN2取代反应及随后与1H-1,2,4-三氮唑的开环反应制备了一系列具有光学活性的新型抗真菌唑类化合物，N-[(1R,2R)-2-(2,4-二氟苯基)-2-羟基-1-甲基-3-(1H-1,2,4-三唑-1-基)丙基]-N'-(4-取代苯基)-3(2H,4H)-1,2,4-三唑酮(1,2)和5(1H,4H)-四唑酮(3)。手性环氧乙烷乙醇13是以立体控制方式由甲基(R)-乳酸制得。所制得的吖唑酮1-3在体外及体内均展现出强大的抗真菌活性。
• [EN] BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1<br/>[FR] DÉRIVÉS DE BENZAMIDE POUR INHIBER L'ACTIVITÉ D'ABL1, D'ABL2 ET DE BCR-ABL2
  申请人：NOVARTIS AG

  公开号：WO2013171640A1

  公开（公告）日：2013-11-21

  The present invention relates to compounds of formula (I): in which Y, Y, R, R 2, R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及式(I)的化合物：其中Y、Y、R、R 2、R 3和R 4在发明摘要中有定义；能够抑制BCR-ABL1及其突变体的活性。本发明还提供了一种制备本发明化合物的方法，包括含有这种化合物的药物制剂以及使用这种化合物治疗癌症的方法。