1-叔丁基-4-(4-硝基苯基)苯 | 279242-11-4

• 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: 1-叔丁基-4-(4-硝基苯基)苯
• 英文名称: 4'-tert-butyl-4-nitrobiphenyl
• 英文别名: 1-Tert-butyl-4-(4-nitrophenyl)benzene
• CAS: 279242-11-4
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: TYABARRZSWMSHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2904209090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-tert-Butyl-4-(4-nitrophenyl)benzene
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: 1-tert-Butyl-4-(4-nitrophenyl)benzene
CAS number: 279242-11-4

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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: C16H17NO2
Molecular weight: 255.3

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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：

  1-叔丁基-4-(4-硝基苯基)苯 在 氯化铵 、 锌 作用下， 以 乙醚 、 水 为溶剂， 生成 4'-tert-butyl-4-hydroxylaminobiphenyl
  参考文献：
  名称：

  亚型和相应的羟胺化合物在鼠伤寒沙门氏菌TA98和TA100中的致突变性。

  摘要：

  制备了五种芳香亚硝基化合物，并将它们在鼠伤寒沙门氏菌菌株TA98和TA100中与相应的羟胺和先前研究的硝基芳烃进行了诱变。在亚硝基和相应的羟胺化合物之间观察到剂量反应曲线的显着对应。在TA98和TA100中可以观察到这种效果。它仅少量依赖于大鼠肝脏S9-mix的代谢活化。即使先前显示已显着影响硝基芳烃的诱变性质的，甚至在官能团附近或远离官能团的大烷基取代基的存在也不会显着影响亚硝基和羟胺类的性质。后两者之间的相似性可能是由于在测试条件下亚硝基芳烃迅速还原为羟胺类所致。似乎酶不参与该还原步骤，因为在功能基团附近的空间拥挤并不影响该行为。带有大取代基的芳族羟胺的试验结果表明，至少有两种方法可以通过这种基团影响芳族硝基化合物的致突变性。靠近官能团（邻位）的取代基会干扰硝基的酶促还原，因为3-叔丁基-4-羟氨基联苯及其相应的亚硝基化合物具有很高的致突变性，而3-叔丁基-4-硝基联苯则具有高致突变性

  DOI：

  10.1016/s1383-5718(01)00140-1
• 作为产物：
  描述：

  4-nitrobenzenediazonium tetrafluoroborate 、 4-叔丁基苯硼酸 在 10 wtpercent palladium nanoparticles decorated on Montmorillonite K₁₀ 作用下， 以 水 为溶剂， 反应 2.0h， 以95%的产率得到1-叔丁基-4-(4-硝基苯基)苯
  参考文献：
  名称：

  甲醇辅助蒙脱石K 10上修饰的PdNPs的合成及其对无碱条件下铃木宫浦型交叉偶联反应的影响

  摘要：

  通过简单地搅拌Pd（OAc）2即可制备装饰在蒙脱石K 10上的高效催化剂PdNP。在室温下于甲醇中溶解，无需使用任何外部还原剂。该催化剂对芳族重氮盐与芳基硼酸之间的铃木宫浦型交叉偶联反应在短反应时间内在配体和无碱反应条件下显示出优异的活性。该方法的主要优点是在温和条件下无需使用任何还原剂或添加剂即可轻松合成多聚PdNP @ Mont K 10催化剂，该催化剂对于联芳基合成非常有效。该催化剂通过SEM，EDX，TEM，BET，粉末XRD，TGA，DSC等进行了很好的表征。在水性反应介质，无碱反应条件，室温和可重复使用的非均相催化剂的作用下，反应路径更加绿色。

  DOI：

  10.1002/aoc.4192

文献信息

• Droplet‐based Continuous Flow Synthesis of Palladium Supported on Reduced Graphene Oxide
  作者：Yea Seul Jang、Su Min Nam、Go Eun Son、Jihoon Lee、Chan Pil Park

  DOI：10.1002/bkcs.11966

  日期：2020.3

  Pd‐RGO synthesis using droplet‐based continuous flow reactor.

  使用基于液滴的连续流反应器进行Pd-RGO合成。
• Sublimable bis( β -iminoenolate)palladium(II) complexes and their application as catalysts in Suzuki-Miyaura reactions
  作者：Mi Jin Kim、Myung Jin Jung、Yeong Joon Kim、Ha Kyoung Sung、Ju Young Lee、Sung Jin Ham、Chan Pil Park

  DOI：10.1016/j.tetlet.2018.06.051

  日期：2018.8

  The Pd(II) complexes strongly chelated by two β-iminoenolate ligands were easily synthesized in only two steps, and purified based on their sublimable and highly stable property. The Pd(II) complexes anchored on a silica surface showed good catalytic activity in Suzuki-Miyaura reactions (up to 99% yield with 0.05 mol% catalyst). They tolerated a wide range of temperature (rt∼110 °C) and various solvents

  被两个β-亚氨基烯酸酯配体强烈螯合的Pd（II）络合物仅需两步即可轻松合成，并基于其可升华和高度稳定的特性进行纯化。锚固在二氧化硅表面的Pd（II）配合物在Suzuki-Miyaura反应中显示出良好的催化活性（使用0.05 mol％的催化剂，收率可达99％）。它们耐受温度范围广（rt〜110°C）和各种溶剂，并且经过简单的回收过程即可重复使用多次。
• Magnetite@MCM‐41 nanoparticles as support material for Pd‐ <i>N</i> ‐heterocyclic carbene complex: A magnetically separable catalyst for Suzuki–Miyaura reaction
  作者：Mitat Akkoç、Nesrin Buğday、Serdar Altın、Sedat Yaşar

  DOI：10.1002/aoc.6233

  日期：2021.6

  coupled plasma–optical emission spectroscopy (ICP‐OES) analysis. The catalytic activity of Magnetite@MCM‐41@NHC@Pd heterogeneous catalyst done on Suzuki–Miyaura reactions of aryl halides with different substituted arylboronic acid derivatives. All coupling reactions afforded excellent yields and up to 408404 Turnover Frequency (TOF) h−1 in the presence of 2 mg of Magnetite@MCM‐41@NHC@Pd catalyst (0.0564 mmol g−1

  磁铁矿@ MCM-41 @ NHC @ Pd催化剂是通过将与NHC配体结合的Pd金属锚定在Fe 3 O 4的表面上而制得的@ MCM‐41。它的特征在于傅立叶变换红外（FTIR）光谱，透射电子显微镜（TEM），X射线衍射（XRD），X射线光电子能谱（XPS），能量色散X射线分析（EDX），热重分析（TGA） ），差热分析（​​DTA）和扫描电子显微镜（SEM）。Magnetite @ MCM-41 @ NHC @ Pd中的Pd含量通过电感耦合等离子体发射光谱法（ICP-OES）分析。磁铁矿@ MCM-41 @ NHC @ Pd的非均相催化剂对芳基卤化物与不同取代的芳基硼酸衍生物的Suzuki-Miyaura反应的催化活性。所有偶联反应均具有出色的收率，最高可达408404的周转频率（TOF）h -1在2毫克磁铁矿的存在@ MCM-41 @ NHC @的Pd催化剂（0.0564毫摩尔克-1，0
• Analysis of the water extract of waste papaya bark ash and its implications as an in situ base in the ligand-free recyclable Suzuki–Miyaura coupling reaction
  作者：Manashi Sarmah、Anindita Dewan、Manoj Mondal、Ashim J. Thakur、Utpal Bora

  DOI：10.1039/c6ra00454g

  日期：——

  in the presence of water produce the corresponding hydroxides in situ, responsible for the basicity. Application of the ash–water extract as a base was highly effective for ligand-free Pd(OAc)2 catalyzed Suzuki–Miyaura cross-coupling reaction. The reaction proceeds smoothly without any promoter/ligand to give excellent yields. Moreover, after completion of the reaction, the catalytic system could be

  据报道，废木瓜皮经低温燃烧转化为灰分水提取物，并在室温下作为铃木-宫浦的交叉偶联反应的一种有效且环保的原位基础介质而得到利用。通过EDX，离子交换色谱和火焰光度法对木瓜皮灰进行表征，以揭示各种活性金属氧化物。灰分的化学分析报告显示，存在钾，钙，钠，锂和镁的氧化物，可能在水的存在下原位产生相应的氢氧化物，这是碱性的原因。灰水提取物作为碱的应用对不含配体的Pd（OAc）2非常有效催化铃木-宫浦交叉偶联反应。反应平稳进行，没有任何助催化剂/配体，得到优异的收率。此外，在反应完成之后，可以通过简单的分步分离容易地回收催化体系，并且可以循环至少五次，而从第三循环开始损失一些催化活性。
• Green chemical synthesis of Pd nanoparticles for use as efficient catalyst in Suzuki-Miyaura cross-coupling reaction
  作者：Shreemoyee Phukan、Abhijit Mahanta、Dwipen Kakati、Md. Harunar Rashid

  DOI：10.1002/aoc.4758

  日期：2019.3

  spherical Pd nanoparticles (NPs) by green chemical method under ambient conditions using flower extract of Lantana camara plant. The size of the Pd NPs is tunable from 4.7 to 6.3 nm by systematically controlling the concentration of either metal ions or plant extract. The synthesized Pd NPs were well characterized by different spectroscopic, microscopic and diffractometric techniques. The Pd NPs offered

  在本文中，我们报道了在环境条件下使用马tana丹（Lantana camara）植物的花提取物通过绿色化学方法合成的球形球形钯纳米粒子（NPs）。通过系统地控制金属离子或植物提取物的浓度，Pd NP的大小可从4.7 nm调节到6.3 nm。合成的Pd NPs通过不同的光谱，显微镜和衍射技术得到了很好的表征。在Suzuki-Miyaura C-C偶联反应中，在温和的反应条件下，（1：1）水-乙醇混合物中，Pd NPs具有良好的尺寸依赖性催化活性。该催化剂稳定并且在偶联反应的三个循环中表现出优异的可重复使用性，此后催化活性降低。