1-bromo-4-(4-pentylcyclohexyl)benzene | 79832-89-6

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-bromo-4-(4-pentylcyclohexyl)benzene
• 英文别名: (4-pentylcyclohexyl)bromobenzene；1-Bromo-4-(trans-4-pentylcyclohexyl)benzene
• CAS: 79832-89-6
• 化学式: C₁₇H₂₅Br
• 分子量: 309.289
• InChiKey: QUWHOIKFJBTGHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  363.0±21.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090
• 危险性防范说明：
  P261,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: 1-Bromo-4-(trans-4-pentylcyclohexyl)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-Bromo-4-(trans-4-pentylcyclohexyl)benzene
CAS number: 79832-89-6

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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: C17H25Br
Molecular weight: 309.3

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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, hydrogen bromide.

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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

制备方法与用途

用途：液晶单体合成原料

反应信息

• 作为反应物：
  描述：

  1-bromo-4-(4-pentylcyclohexyl)benzene 在 palladium on activated charcoal 四(三苯基膦)钯 、 正丁基锂 、 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 苯 为溶剂， 反应 27.5h， 生成 4'-(4-pentylcyclohexyl)biphenyl-3,5-diamine
  参考文献：
  名称：

  The Structural Effects on the Pretilt Angle of Alignment Materials with Alkylcyclohexylbenzene as a Side Chain in Polyimides

  摘要：

  We have investigated the relationship between the surface property of rubbed polyimides and the variation of pretilt angle according to the side chain and main chain structures. We calculated the surface free energy of synthesized polyimide surface by measuring the contact angles of distilled water and methylene iodide on the rubbed polyimide surface. Consequently, we found that pretilt angles on rubbed polyimides changed according to the side chain and main chain structures of the polyimide. Our calculations show that LC pretilt angles of polyimide films with a liquid crystal structure as a side chain were approximately 90 degrees when a linear and rigid polyintide main chain and a side chain of suitable length were employed.

  DOI：

  10.1080/15421400590955073
• 作为产物：
  描述：

  trans-4-pentylcyclohexylbenzene 在 sodium hypobromide 、 溴 作用下， 反应 2.0h， 以83.7%的产率得到1-bromo-4-(4-pentylcyclohexyl)benzene
  参考文献：
  名称：

  一种烷基环己基溴苯的制备方法

  摘要：

  本发明公开一种烷基环己基溴苯的制备方法，所述方法为：采用烷基环己基苯、烷基双环己基苯和联苯中的一种作为原料，以溴素作为溴源进行合成反应，氧化剂作为催化剂，将合成产物水洗至中性，得到粗品有机相，之后向粗品有机相中加入溶剂，升温至沸腾状态并回流，最后降温过滤，制得产品，本方法成本低，收率高，无废气与固废产生，更加环保，适合推广使用。

  公开号：

  CN111072446A

文献信息

• SILICON-CONTAINING COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY USING THE SAME
  申请人：DAXIN MATERIALS CORPORATION

  公开号：US20190338190A1

  公开（公告）日：2019-11-07

  A silicon-containing compound, liquid-crystal composition and a liquid-crystal display using the silicon-containing compound are provided. The silicon-containing compound has a structure represented by Formula (I): wherein K, R 1 , A 1 , A 2 , A 3 , A 4 , Z 1 , Z 2 , Z 3 , L 7 , L 8 , L 9 , X 6 , X 7 , n 1 , n 2 , n 3 , and n 4 are defined as in the specification.

  提供一种含硅化合物、液晶组合物和使用该含硅化合物的液晶显示器。该含硅化合物具有由式（I）表示的结构： 其中K、R1、A1、A2、A3、A4、Z1、Z2、Z3、L7、L8、L9、X6、X7、n1、n2、n3和n4如规范中定义。
• A rapid and efficient catalysis system for the synthesis of 4-vinylbiphenyl derivatives
  作者：Xiaowei Ma、Yan Liu、Ping Liu、Jianwei Xie、Bin Dai、Zhiyong Liu

  DOI：10.1002/aoc.3045

  日期：2013.12

  A series of 4‐vinylbiphenyl derivatives were synthesized by Pd(OAc)2/PCy3‐catalyzed Suzuki–Miyaura reaction in the presence of K3PO4.3H2O as base in toluene at 80°C for only 10–30 min, and the corresponding products achieved 65–98% yields. According to this efficient C―C bond‐forming method, the obtained yields of 4‐vinylbiphenyl liquid crystal compounds were up to 92–96%. Copyright © 2013 John Wiley

  在甲苯中以K 3 PO 4 .3H 2 O为碱的情况下，在80°C下仅10-30分钟的时间内，通过Pd（OAc）2 / PCy 3催化的Suzuki-Miyaura反应合成了一系列4-乙烯基联苯衍生物。，相应的产品可达到65-98％的收率。根据这种有效的CC键形成方法，获得的4-乙烯基联苯液晶化合物的产率高达92-96％。版权所有©2013 John Wiley＆Sons，Ltd.
• Green synthesis of fluorinated biaryl derivatives via thermoregulated ligand/palladium-catalyzed Suzuki reaction
  作者：Ning Liu、Chun Liu、Zilin Jin

  DOI：10.1016/j.jorganchem.2011.04.007

  日期：2011.7

  and material science due to their unique physical properties. This paper reports an efficient and environmentally benign protocol for the Suzuki reaction of aryl halides with fluorinated arylboronic acids over a thermoregulated ligand/palladium catalyst using water as sole medium, affording a variety of fluorinated biaryls, including fluorinated liquid crystals, in excellent yields. The catalyst could

  氟化物因其独特的物理性能而在制药，农用化学品和材料科学领域引起了相当大的关注。本文报道了在水为唯一介质的热调节配体/钯催化剂上，芳基卤化物与氟化芳基硼酸的Suzuki反应的有效和环境友好的方案，以优异的收率提供了多种氟化联芳基，包括氟化液晶。该催化剂可以高活性回收四次。通过汞中毒试验证明活性催化剂是钯/配体络合物。
• Synthesis of 4-Vinylbiphenyl Derivatives by Pd(II)-1,2-Diamino-cyclohexane Complex Catalyzed Suzuki-Miyaura Reaction
  作者：Y. Liu、X.W. Ma、P. Liu、J.W. Xie、B. Dai

  DOI：10.14233/ajchem.2014.16972

  日期：——

  A series of 4-vinylbiphenyl derivatives were synthesized by Pd(II)-1,2-diaminocyclohexane complex catalyzed Suzuki-Miyaura reactions in the presence of K3PO4·3H2O as base in toluene at 80 °C and the corresponding products achieved 39-95 % yields. According to this efficient C-C bond-forming method, the obtained yields of 4-vinylbiphenyl liquid crystal compounds were up to 89 %.

  一系列4-乙烯基联苯衍生物通过Pd(II)-1,2-二氨基环己烷复合催化的铃木-宫浦反应合成，在80℃的甲苯中以K3PO4·3H2O作为碱，得到的产物收率为39-95%。根据这一高效的C-C键形成方法，获得的4-乙烯基联苯液晶化合物的收率高达89%。
• Metallomicelles of palladium(II) complexes as efficient catalysts for the Suzuki-Miyaura reaction in neat water
  作者：Yan Liu、Xiaowei Ma、Jianwei Xie、Ping Liu、Bin Dai、Ren He

  DOI：10.1002/aoc.3021

  日期：2013.8

  Metallomicelles of palladium(II) complex 4 are found to be an efficient catalyst for Suzuki–Miyaura reactions of aryl bromides substituted with a long alkyl chain and arylboronic acids at 80 °C in neat water. The reactions proceed smoothly to generate the corresponding biaryl compounds in moderate to excellent yields. Various biphenyl derivatives were successfully obtained by complex 4 catalysis of the Suzuki–Miyaura

  钯（II）配合物4的金属硅化物是纯水中80℃下被长烷基链取代的芳基溴化物和芳基硼​​酸的Suzuki-Miyaura反应的有效催化剂。反应平稳进行，以中等至优异的产率产生相应的联芳基化合物。在纯净水中不存在任何表面活性剂的情况下，通过Suzuki-Miyaura反应的复合物4催化成功地获得了各种联苯衍生物。版权所有©2013 John Wiley＆Sons，Ltd.