1-溴-2-(乙氧基甲基)苯 | 80171-34-2

• 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-溴-2-(乙氧基甲基)苯
• 英文名称: 1-bromo-2-(ethoxymethyl)benzene
• CAS: 80171-34-2
• 化学式: C₉H₁₁BrO
• 分子量: 215.09
• InChiKey: IRJIHLOLKDSXAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 储存条件：
  存放在2-8°C环境下，需要密封并保持干燥。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-Bromo-2-(ethoxymethyl)benzene
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-Bromo-2-(ethoxymethyl)benzene
CAS number: 80171-34-2

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C9H11BrO
Molecular weight: 215.1

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-溴-2-(乙氧基甲基)苯 在 哌啶 、 正丁基锂 、 溶剂黄146 、 ytterbium(III) triflate 作用下， 以 四氢呋喃 、 正己烷 、 1,2-二氯乙烷 、 苯 为溶剂， 反应 42.58h， 生成 dimethyl 3-methyl-3,5-dihydrobenzo[c]oxepine-4,4(1H)-dicarboxylate
  参考文献：
  名称：

  基于[1,6]-氢化物转移/环化过程的七/五元环的发散访问

  摘要：

  我们已经实现了基于 [1,6]-氢化物移位/环化过程从带有邻烷氧基甲基的亚苄基丙二酸酯获得七/五元环的不同途径。Yb(OTf) 3选择性地提供苯并氧杂环庚烷（具有七元环），而使用Sc(OTf) 3时，茚满（具有五元环）是主要产物。

  DOI：

  10.1021/acs.orglett.1c03523
• 作为产物：
  描述：

  2-溴苄醇 、 碘乙烷 在 sodium hydride 作用下， 以 四氢呋喃 、 paraffin oil 为溶剂， 反应 7.0h， 以88%的产率得到1-溴-2-(乙氧基甲基)苯
  参考文献：
  名称：

  Diselenides and Benzisoselenazolones as Antiproliferative Agents and Glutathione-S-Transferase Inhibitors

  摘要：

  一系列功能化的含硒化合物被有意合成并针对一系列癌细胞系进行评估。大多数化合物展现出有趣的细胞毒性谱，其中化合物5在MCF7细胞中表现出强效活性。乙基氨基衍生物5与顺铂呈协同作用，并抑制了GST酶的活性，其活性与在MCF7细胞中观察到的细胞毒性密切相关。计算分析表明，乙基氨基衍生物5可能在GST酶上存在结合模式。作为本研究的主要结果，乙基氨基衍生物5被确定为一个有效的引物化合物，可用于进一步未来的开发。

  DOI：

  10.3390/molecules24162914

文献信息

• Catalytic Properties of Chromium Complexes Based on 1,2-Bis(diphenylphosphino)benzene in the Ethylene Oligomerization Reaction
  作者：D. N. Cheredilin、A. M. Sheloumov、A. A. Senin、G. A. Kozlova、V. V. Afanas’ev、N. B. Bespalova

  DOI：10.1134/s0965544119130036

  日期：2019.12

  catalyst systems of a number of diphosphine ligands and chromium complexes based on 1,2-bis(diphenylphosphino)benzene in the ethylene oligomerization reaction has been studied. Structural modifications of diphosphine ligands have been performed to create selective catalyst systems for ethylene oligomerization. It has been shown that the introduction of ortho-functional groups into one of the phenyl substituents

  摘要研究了许多基于1,2-双（二苯基膦基）苯的二膦配体和铬配合物的催化剂体系在乙烯低聚反应中的活性。已经进行了二膦配体的结构修饰以产生用于乙烯低聚的选择性催化剂体系。已经表明，在二膦配体的磷原子上将邻官能团引入到苯基取代基中的一个苯基取代基上，使得可以进行乙烯低聚为1-己烯的方法，其选择性为90wt％以上。配合物之一（铬配合物15）具有功能化的二膦配体）已通过X射线结构分析进行了表征。已经研究了活化剂的量及其类型的变化对催化剂体系活性的影响。已经表明，用三甲基铝代替某些有机铝活化剂甲基铝氧烷不会降低基于二膦铬配合物的催化剂体系的生产率和选择性。
• Dynamic NMR as a Nondestructive Method for Determination of Rates of Dissociation. XV. Dissociation of Thioether and Ether Ligands in Tin(IV) and Boron Complexes and Significance of Entropy of Activation Therein
  作者：Michinori Oki、Yasuhisa Yamada

  DOI：10.1246/bcsj.61.1191

  日期：1988.4

  The rates of dissociation of thioether ligands which are imbedded in organotin(IV) compounds, such as trichloro[o-(ethylthiomethyl)phenyl]stannane, were determined by the dynamic NMR method. The dynamic processes of the corresponding ether ligands was too fast to detect as the change in line shapes in 1H NMR spectra. All the boron compounds examined, which possessed similar structures to the stannane and were of the boronate type, failed to show dissociation of a thioether or ether ligand due to their large rates of dissociation. The rates of dissociation of a thioether–tribromoboron complex were determined by the same technique. The feature of the activation parameters was that the compounds examined exhibited fairly large positive entropy of activation in accordance with other results that involve dissociation of ionic species into covalent species.

  嵌入在有机锡(IV)化合物中的硫醚配体的解离速率，例如三氯[o-(乙基硫甲基)苯基]锡，是通过动态核磁共振（NMR）方法确定的。相应醚配体的动态过程过快，无法通过氢核磁共振谱中的线形变化检测到。所有被检验的硼化合物，其结构类似于锡化合物且属于硼酸盐类型，由于其解离速率较大，未能显示出硫醚或醚配体的解离。硫醚-三溴硼配合物的解离速率也是通过相同的技术确定的。激活参数的特点是，被检验的化合物表现出相当大的正活化熵，这与其他涉及离子物种解离为共价物种的结果一致。
• Preparation of bidentate ligands
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0375576A1

  公开（公告）日：1990-06-27

  A process is disclosed for preparing bidentate ligands of the formula: wherein: each of Ar, R′, R˝ and Y are specifically defined species; the x bonds and the y bonds are attached to adjacent carbon atoms on the ring structures; and n is a whole number in the range of 0-4 where Ar is phenyl: 0-6 where Ar is naphthyl: and 0-8 where Ar is phenanthryl or anthracenyl. The invention process comprises a. reductively coupling an ortho-substituted aromatic moiety to produce a biphenyl compound; b. contacting the biphenyl compound produced in Step (a) with an anion having the structure: wherein Y, Y′ and R′ are specifically defined species; under conditions appropriate to form said bidentate ligand or the dioxide precursor thereof; and c. optionally reducing the intermediate product when the oxy-anion, is employed as the anion in Step (b).

  本发明公开了一种制备双取代配体的方法，其化学式为：其中：Ar、R'、R˝和Y分别是特定定义的物种；x键和y键连接在环结构上相邻的碳原子上；n是整数，在Ar为苯基时为0-4，在Ar为萘基时为0-6，在Ar为菲基或蒽基时为0-8。该发明方法包括：a. 还原偶氮苯衍生物，以产生联苯化合物；b. 将步骤(a)中产生的联苯化合物与具有以下结构的负离子接触：其中Y、Y'和R'是特定定义的物种；在适当的条件下形成所述双取代配体或其二氧化物前体；c. 当氧负离子在步骤(b)中作为负离子时，可选择性地还原中间产物。
• POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS
  申请人：MERCK PATENT GMBH

  公开号：US20140375943A1

  公开（公告）日：2014-12-25

  The present invention relates to polymerizable compounds, to processes and intermediates for the preparation thereof, to liquid-crystal (LC) media comprising them, and to the use of the polymerizable compounds and LC media for optical, electro-optical and electronic purposes, in particular in LC displays, especially in LC displays of the PSA (“polymer sustained alignment”) type.

  本发明涉及可聚合化合物、其制备过程和中间体、包含它们的液晶（LC）介质，以及将可聚合化合物和LC介质用于光学、电光和电子目的的使用，特别是在LC显示器中，特别是在PSA（“聚合物持续定向”）类型的LC显示器中。
• Preparation of biaryl compounds
  申请人：EASTMAN CHEMICAL COMPANY

  公开号：EP0366573A1

  公开（公告）日：1990-05-02

  A method for the preparation of biaryl compounds is disclosed which comprises contacting an aryl halide under conditions suitable to form a Grignard reagent and thereafter contacting the Grignard reagent with an aryl chloride in the presence of a catalyst comprising a nickel compound and a coordinating ligand under conditions suitable for the formation of biaryl compound. In an alternate embodiment of the present invention, biaryl compounds are prepared directly from aryl halides in a single reaction vessel by contacting aryl halide with elemental magnesium and a nickel catalyst comprising a nickel compound and a coordinating ligand in an aprotic, non-polar, ether-containing solvent system for a time and under conditions suitable for the formation of biaryl compound.

  本发明公开了一种制备双芳基化合物的方法，该方法包括在适合形成格氏试剂的条件下，使芳基卤化物与格氏试剂接触，然后在适合形成双芳基化合物的条件下，在由镍化合物和配位配体组成的催化剂存在下，使格氏试剂与芳基氯化物接触。在本发明的另一个实施方案中，在单个反应容器中直接从芳基卤化物制备双芳基化合物，方法是在适合于形成双芳基化合物的时间和条件下，在非烷基、非极性、含醚溶剂体系中，使芳基卤化物与元素镁和由镍化合物和配位配体组成的镍催化剂接触。