[1,1'-联苯]-3,4'-二羧酸二甲酯 | 55676-76-1

• 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: [1,1'-联苯]-3,4'-二羧酸二甲酯
• 英文名称: dimethyl (1,1'-biphenyl)-3,4'-dicarboxylate
• 英文别名: dimethyl [1,1'-biphenyl]-3,4'-dicarboxylate；biphenyl-3,4'-dicarboxylic acid dimethyl ester；Biphenyl-3,4'-dicarbonsaeure-dimethylester；(1,1'-biphenyl)-3,4'-dicarboxylic acid, dimethyl ester；Diphenyl-dicarbonsaeure-(3,4')-dimethylester；Dimethyl biphenyl-3,4'-dicarboxylate；methyl 3-(4-methoxycarbonylphenyl)benzoate
• CAS: 55676-76-1
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: WECHJLDENFZQRV-UHFFFAOYSA-N

物化性质

• 熔点：
  95 °C
• 沸点：
  416.8±38.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Dimethyl biphenyl-3,4’-dicarboxylate
Synonyms: Methyl 4-[3-(methoxycarbonyl)phenyl]benzoate

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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: Dimethyl biphenyl-3,4’-dicarboxylate
CAS number: 55676-76-1

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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: C16H14O4
Molecular weight: 270.3

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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.

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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：

  [1,1'-联苯]-3,4'-二羧酸二甲酯 、 联苯二甲酸二甲酯 在 titanium(IV) isopropylate 氮气 、 乙二醇 作用下， 以 乙二醇 为溶剂， 反应 3.42h， 生成 Ethylene 4,4'-biphenyldicarboxylate
  参考文献：
  名称：

  Thermoplastic polyesters containing biphenylene linkages

  摘要：

  通过将至少一种含有2到12个碳原子的脂肪族二元醇与3,4'-联苯二甲酸的较低烷基二酯或酚二酯，以及可选的4,4'-联苯二甲酸的较低烷基二酯或酚二酯，在催化剂的存在下在大约180℃到300℃之间接触制备3,4'-联苯二甲酸的脂肪族聚酯。这些聚酯适用于制造纤维、薄膜、三维成型制品、障壁容器和涂层。

  公开号：

  US05138022A1
• 作为产物：
  描述：

  3-羟基苯甲酸甲酯 在 bis(1,5-cyclooctadiene)nickel (0) 、 potassium phosphate 、 sodium hydride 、 三环己基膦 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 24.17h， 生成 [1,1'-联苯]-3,4'-二羧酸二甲酯
  参考文献：
  名称：

  Ni(COD)₂/PCy₃ Catalyzed Cross-Coupling of Aryl and Heteroaryl Neopentylglycolboronates with Aryl and Heteroaryl Mesylates and Sulfamates in THF at Room Temperature

  摘要：

  Reaction conditions for the Ni(COD)(2)/PCy3 catalyzed cross-coupling of aryl neopentylglycolboronates with aryl mesylates were developed. By using optimized reaction conditions, Ni(COD)(2)/PCy3 was shown to be a versatile catalyst for the cross-coupling of a diversity of aryl neopentylglycolboronates with aryl and heteroaryl mesylates and sulfamates containing both electron-donating and electron-withdrawing substituents in their para, ortho, and meta positions in THF at room temperature. This Ni-catalyzed cross-coupling of aryl neopentylglycolboronates is also effective for the synthesis of heterobiaryls and biaryls containing electrophilic functionalities sensitive to organolithium and organomagnesium derivatives. In combination with the recently developed Ni-catalyzed neopentylglycolborylation, all Ni-catalyzed routes to functional biaryls and heterobiaryls are now easily accessible.

  DOI：

  10.1021/jo202037x

文献信息

• An Indefinitely Air-Stable σ-NiII Precatalyst for Quantitative Cross-Coupling of Unreactive Aryl Halides and Mesylates with Aryl Neopentylglycolboronates
  作者：Virgil Percec、Jagadeesh Malineni、Ryan Jezorek、Na Zhang

  DOI：10.1055/s-0035-1562342

  日期：——

  precatalysts, ligands, boron sources, and reaction conditions that were developed in various research groups, necessitated the selection of the most suitable conditions for desired cross-coupling partners. Here a universal, bench-stable, easily prepared NiIICl(1-naphthyl)(PCy3)2/PCy3 σ-complex, for efficient and quantitative cross-coupling of aryl chlorides, bromides, iodides, mesylates, and fluorides with aryl

  摘要 基于π-Ni系三类镍预催化剂的II，π-Ni系0和σ-Ni系II络合物已经阐述和在用于官能化和以其他方式交叉偶联惰性的芳基C-O，C-CL不同的实验室使用，并且C–F亲电试剂。在各个研究小组中开发的各种Ni预催化剂，配体，硼源和反应条件，必须为所需的交叉偶联伙伴选择最合适的条件。在这里，一种通用的，稳定的，易于制备的Ni II Cl（1-萘基）（PCy 3）2 / PCy 3σ-络合物，用于将芳基氯，溴化物，碘化物，甲磺酸盐和氟化物与芳基新戊二醇硼酸酯有效和定量地交叉偶联。该预催化剂将最有可能帮助推进Ni催化在有机，超分子和大分子合成中的应用，并将为各种转化的反应条件选择提供更容易的途径。 基于π-Ni系三类镍预催化剂的II，π-Ni系0和σ-Ni系II络合物已经阐述和在用于官能化和以其他方式交叉偶联惰性的芳基C-O，C-CL不同的实验室使用，并且C–F亲电试剂。在各个研究小组中开发
• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。
• <i>trans</i>-Chloro(1-Naphthyl)bis(triphenylphosphine)nickel(II)/PCy₃ Catalyzed Cross-Coupling of Aryl and Heteroaryl Neopentylglycolboronates with Aryl and Heteroaryl Mesylates and Sulfamates at Room Temperature
  作者：Pawaret Leowanawat、Na Zhang、Mehtap Safi、David J. Hoffman、Miriam C. Fryberger、Aiswaria George、Virgil Percec

  DOI：10.1021/jo3001194

  日期：2012.3.16

  been successfully applied as catalyst for the Suzuki–Miyaura cross-coupling of aryl and heteroaryl neopentylglycolboronates with aryl and heteroaryl mesylates and sulfamates in THF at room temperature. This cross-coupling reaction tolerates various functional groups, including keto, imino, ester, ether, and cyano. Together with the nickel-catalyzed, one-pot, two-step neopentylglycolborylation, this bench

  反式-氯（1-萘基）双（三苯基膦）镍（II）配合物/ PCy 3体系已成功用作Suzuki-Miyaura的芳烃和杂芳基新戊二醇硼酸酯与芳基和杂芳基甲磺酸酯和氨基磺酸酯的Suzuki-Miyaura交叉偶联室内温度。这种交叉偶联反应可耐受各种官能团，包括酮基，亚氨基，酯基，醚基和氰基。与镍催化的一锅两步新戊基糖基化反应一起使用，这种台式稳定且廉价的Ni（II）基催化剂可以用作Ni（COD）2 / PCy 3的替代品，从而提供廉价，坚固，方便地合成联芳基和杂联芳基化合物。
• AROMATIC POLYESTER
  申请人：Muroran Institute of Technology

  公开号：EP2479203A1

  公开（公告）日：2012-07-25

  The present invention provides an aromatic polyester which is substantially free from the occurrence of coloration and retains significantly high transparency even after being thermally processed at high temperature and which has high flowability. The aromatic polyester contains a polyhydric phenol residue and a residue of any one of aromatic polycarboxylic acid, halide thereof, and anhydride thereof, and terminals of the aromatic polyester have a structure represented by the formula -C(O)-R. The aromatic polyester has an end-capping rate of 90% or higher and a weight average molecular weight (Mw) ranging from 3,000 to 1,000,000.

  本发明提供了一种芳香族聚酯，该聚酯基本上不会发生着色，即使在高温热加工后仍能保持明显的高透明度，并且具有高流动性。芳香族聚酯含有多羟基苯酚残留物和芳香族多羧酸、其卤化物和其酸酐中任意一种的残留物，芳香族聚酯的端基具有式 -C(O)-R 所代表的结构。芳香族聚酯的端盖率为 90% 或更高，重量平均分子量（Mw）为 3,000 至 1,000,000 之间。
• Liquid crystalline polyester compositions and methods
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10759900B1

  公开（公告）日：2020-09-01

  Liquid crystalline hydroquinone-3,4′-biphenyl dicarboxylate polyesters, and methods of making them. The polyesters may be melt processed at a temperature below the thermal decomposition temperature and the isotropic temperature, and may form a liquid crystalline glass phase. The polyesters may be formed by polycondensation of hydroquinone or a hydroquinone derivative with 3,4′-biphenyl dicarboxylic acid.

  液晶对苯二酚-3,4′-联苯二甲酸酯聚酯及其制造方法。聚酯可在低于热分解温度和各向同性温度下进行熔融加工，并可形成液晶玻璃相。这些聚酯可通过对苯二酚或对苯二酚衍生物与 3,4′-联苯二甲酸的缩聚反应形成。