2,5-二溴对苯二甲酸二甲酯 | 18014-00-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 2,5-二溴对苯二甲酸二甲酯
• 英文名称: dimethyl 2,5-dibromoterephthalate
• 英文别名: 2,5-dibromoterephthalic acid dimethyl ester；methyl 2,5-dibromoterephthalate；dimethyl 2,5-dibromobenzene-1,4-dicarboxylate
• CAS: 18014-00-1
• 化学式: C₁₀H₈Br₂O₄
• 分子量: 351.979
• InChiKey: QXAFZEQRMJNPLY-UHFFFAOYSA-N

物化性质

• 熔点：
  148.6 °C
• 沸点：
  362.0±37.0 °C(Predicted)
• 密度：
  1.781±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4-sec-Butylphenylboronic acid
Product Name:
Synonyms: 4-(1-Methylpropyl)phenylboronic acid

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
4-sec-Butylphenylboronic acid
Ingredient name:
CAS number: 850568-56-8

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H15BO2
Molecular weight: 178.0

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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.

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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

化学性质：白色粉末

反应信息

• 作为反应物：
  描述：

  2,5-二溴对苯二甲酸二甲酯 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以83%的产率得到2,5-dibromoterephthalyldihydrazide
  参考文献：
  名称：

  新型的交替芴基共轭聚合物，其含具有不同端基的恶二唑侧链

  摘要：

  通过钯催化的Suzuki偶联反应，合成了一系列可溶的交替芴基共聚物，这些共聚物包含具有各种端基的对称和不对称1,3,4-恶二唑（OXD）侧基。这些聚合物的玻璃化转变温度比类似的二烷氧基取代的聚合物（PFPOC 6）由没有OXD悬垂物的相同主链组成。这些聚合物的光物理和电化学性质受极性效应（吸电子基团-CN和供电子基团-R或-OR）和尺寸效应（接枝侧链的尺寸）的影响。 OXD吊坠。由于OXD悬垂物的位阻较大，减少了这些聚合物在固体中的聚集，这导致了溶液状态和固态状态下几乎相同的PL排放。聚合物侧链上庞大的OXD侧基可以为聚合物膜提供较低的HOMO和LUMO能级以及更好的电子注入性能。由于在这些聚合物的PL和EL光谱中仅观察到一个发射峰，有证据表明已经发生了从OXD悬垂物到共轭聚合物主链的有效能量转移，从而消除了OXD悬垂物的发光。这些不对称的OXD取代的聚合物比对称的OXD取代的聚合物具有更

  DOI：

  10.1021/ma0489927
• 作为产物：
  描述：

  2,5-二溴对苯二甲酸 在 吡啶 、 4-二甲氨基吡啶 、 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 14.5h， 生成 2,5-二溴对苯二甲酸二甲酯
  参考文献：
  名称：

  用布朗斯台德酸基团密集官能化的多孔有机聚合物中的氨捕获

  摘要：

  消除特定的环境和工业污染物，这些污染物的危险浓度仅为百万分之几至十亿分之一，这是一项重大的技术挑战。为此类过程设计的吸附材料必须对目标分析物产生极高的吸附焓。与依赖单一的强相互作用不同，使用多种化学相互作用是实现这一必要物理参数的新兴策略。在此，我们描述了一种用羧酸密集官能化的类金刚石多孔有机聚合物的高效催化合成。物理参数，如孔径分布，这些材料在低压氨吸附中的应用，并与具有不同酸度的官能团的类似材料进行比较。特别是，BPP-5 具有由 <6 Å 孔主导的多重互穿结构，在 1 bar 下显示出 17.7 mmol/g 的吸收量，这是迄今为止证明的易于回收材料的最高容量。互补框架 BPP-7 具有稍大的孔径，由此产生的吸收动力学改进允许在低压（3.15 mmol/g，480 ppm）下进行有效吸附。总体而言，数据强烈表明酸性位点的空间排列允许协同行为，从而增强 NH3 吸附。迄今为止证明的最高容量，可用于易于回收的材料。互补框架

  DOI：

  10.1021/ja4105478

文献信息

• Palladium-Catalyzed Intramolecular Aromatic C–H Acylation of 2-Arylbenzoyl Fluorides
  作者：Yuka Sakurai、Kana Ikai、Kazuki Hayakawa、Yohei Ogiwara、Norio Sakai

  DOI：10.1246/bcsj.20210148

  日期：2021.7.15

  using a Pd(OAc)2/PCy3 system is described. A wide range of 2-arylbenzoyl fluoride derivatives can be used as fluorenone precursors and the reaction proceeds via an intramolecular coupling between aromatic C–H bonds with acyl C–F bonds. The reaction can be applied to the synthesis of indenofluorenedione derivatives and to the construction of other molecules with five-membered rings.

  描述了使用 Pd(OAc) 2 /PCy 3系统进行酰氟的催化分子内环化。广泛的 2-芳基苯甲酰氟衍生物可用作芴酮前体，反应通过芳族 C-H 键与酰基 C-F 键之间的分子内偶联进行。该反应可用于茚并芴二酮衍生物的合成和其他五元环分子的构建。
• BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES
  申请人：Parham Amir Hossain

  公开号：US20130026422A1

  公开（公告）日：2013-01-31

  The present invention relates to a compound according to formula (I), to the use thereof in an electronic device and to an electronic device which comprises one or more compounds according to formula (I).

  本发明涉及根据公式(I)的化合物，其在电子设备中的用途，以及包含一个或多个根据公式(I)的化合物的电子设备。
• Nitrogenous heterocyclic derivative and organic electroluminescence device making use of the same
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US08058450B2

  公开（公告）日：2011-11-15

  A novel nitrogen-containing heterocyclic compound having a specific structure and an organic electroluminescence device comprising an anode, a cathode and an organic thin film layer which comprises a single layer or a plurality of layers comprising at least a light emitting layer and is disposed between the anode and the cathode, wherein at least one layer in the organic thin film layer comprises the above nitrogen-containing heterocyclic derivative singly or as a component of a mixture. The organic electroluminescence device exhibits a great luminance of emitted light and a great efficiency of light emission even under application of a low voltage.

  一种具有特定结构的含氮杂环化合物，以及包括阳极、阴极和有机薄膜层的有机电致发光器件，所述有机薄膜层包括单层或多层，至少包括一个发光层，并位于阳极和阴极之间，其中有机薄膜层中的至少一层包括上述含氮杂环衍生物单独或作为混合物成分。该有机电致发光器件在施加低电压时表现出较高的发光亮度和较高的发光效率。
• Organic Semiconductor Material
  申请人：Miyata Yasuo

  公开号：US20110087034A1

  公开（公告）日：2011-04-14

  A dihydroindacene compound represented by the following formula (1): wherein R 1 is identical or different from each other, and each denotes a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, alkynyl which may be substituted, alkoxy which may be substituted, alkylthio which may be substituted, aryl which may be substituted, aryloxy which may be substituted, or the like; R 2 to R 5 are identical or different from each other, and each denote a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, or the like; p is 0, 1, or 2; and ring structures A and B are identical or different from each other, and each denote a benzene ring which may be substituted, a thiophene ring which may be substituted, or the like.

  一种二氢吲哚嗪化合物，其由以下式（1）表示：其中R1彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基、可被取代的炔基、可被取代的烷氧基、可被取代的烷硫基、可被取代的芳基、可被取代的芳氧基等；R2至R5彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基等；p为0、1或2；环结构A和B彼此相同或不同，各自表示可被取代的苯环、可被取代的噻吩环等。
• METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND
  申请人：Oda Seiji

  公开号：US20110275859A1

  公开（公告）日：2011-11-10

  A method for manufacturing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (A) does not have (c1) a group represented by the following formula (10): wherein A 1 represents a C1-C20 alkoxy group etc.; (g1) a C1-C20 alkyl group which may be substituted with a fluorine atom etc.; and (h1) a C2-C20 acyl group which may be substituted with a fluorine atom etc., at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) wherein the aromatic compound (B) is structurally different from the above-mentioned aromatic compound (A), one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (B) does not have the above-mentioned (c1), (g1) and (h1) at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, in the presence of (i) a nickel compound, (ii) a metal reducing agent, (iii) at least one ligand (L1) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-withdrawing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-withdrawing group and having no substituent at 2- and 9-positions, and (iv) at least one ligand (L2) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-releasing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-releasing group and having no substituent at 2- and 9-positions.

  一种制备共轭芳香化合物的方法，包括将含有一个或两个离去基团的芳香化合物（A）与含有相同结构的上述芳香化合物（A）或结构不同的芳香化合物（B）反应，其中这些离去基团选自碘原子、溴原子和氯原子，与芳香环结合，而芳香化合物（A）没有以下式（10）所代表的基团：其中A1代表C1-C20烷氧基等；（g1）代表C1-C20烷基基团，可能被氟原子等取代；以及（h1）代表C2-C20酰基基团，可能被氟原子等取代，与离去基团结合的碳原子的相邻碳原子处没有上述（c1）、（g1）和（h1），在（i）镍化合物、（ii）金属还原剂、（iii）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L1），具有至少一个吸电子基团且在3-、6-、3′-和6′-位置没有取代基，以及（iv）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L2），具有至少一个释电子基团且在3-、6-、3′-和6′-位置没有取代基团的情况下，在上述离去基团结合的碳原子的相邻碳原子处进行反应。