2-甲基-1,4-苯二甲酸二甲酯 | 14186-60-8

• 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-甲基-1,4-苯二甲酸二甲酯
• 中文别名: 2-甲基对苯二甲酸二甲酯
• 英文名称: dimethyl 2-methylterephthalate
• 英文别名: Dimethyl Methylterephthalat；dimethyl 2-methylbenzene-1,4-dicarboxylate
• CAS: 14186-60-8
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: DXIRJLBDSXBZCS-UHFFFAOYSA-N

物化性质

• 熔点：
  75.5 °C
• 沸点：
  156 °C(Press: 10 Torr)
• 密度：
  1.147±0.06 g/cm3(Predicted)
• 保留指数：
  1598.8

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: Dimethyl 2-methylterephthalate
Synonyms: Dimethyl 2-methylbenzene-1,4-dicarboxyalate

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: Dimethyl 2-methylterephthalate
CAS number: 14186-60-8

---

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: C11H12O4
Molecular weight: 208.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

---

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：

  2-甲基-1,4-苯二甲酸二甲酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 、 乙腈 为溶剂， 反应 6.0h， 生成 2,5-bis(carbomethoxy)-benzyltriphenylphosphonium bromide
  参考文献：
  名称：

  对苯二甲酸乙烯基酯的合成和无溶剂聚合，用作有机电池的负极材料†

  摘要：

  报道了2-乙烯基对苯二甲酸二甲酯M1的合成和聚合，其可能用作有机二次电池中的阳极材料。M1显示乙烯基作为可聚合单元，而羧酸根部分充当阳离子（Li +，Na +）配位位点。通过三种不同的路线描述了M1的克级合成，以便评估具有最高总产量的路线。此外，研究了用于自由基聚合的不同条件以获得聚合物P1。为了研究在有机电池中使用时将聚合物中的羧酸盐氧化还原活性中心固定化对充电/放电循环稳定性的影响，采用高分子量聚合物。为了合成适合电池研究的材料，将P1后官能化为相应的锂盐P1-Li，然后对其进行电化学研究。循环伏安法测量显示，P1-Li氧化还原活性在0.5–1.2 V相对于Li + / Li的范围内，将其指定为阳极的候选者。在目前的实验条件下，P1-Li的恒电流测量结果显示出64 mA hg -1的比电容。进一步证明，与母体单体（44％）相比，P1-Li显示出改善的循环稳定性，在100次循环后剩余83％的放电容量。

  DOI：

  10.1039/c6ra24064j
• 作为产物：
  描述：

  2-甲基-1,4-苯二甲酸 在 硫酸 作用下， 以 甲醇 为溶剂， 生成 2-甲基-1,4-苯二甲酸二甲酯
  参考文献：
  名称：

  2-Substituted-5-oxo-5H-dibenzo[a,d]cycloheptenes, the salts and esters

  摘要：

  以下是2-取代-5-氧代-5H-二苯并[a，d]环庚烯的化学式表示：其中R'是氢，具有1至12个碳原子的烷基，或其中n是一个整数，范围从2到4，包括，R^4和R^5独立地是具有1至6个碳原子的较低烷基，或者R^4和R^5一起，并且它们连接的氮原子形成具有5或6个总环原子的杂环环；R^2和R^3中的一个是氢，另一个是氢，甲基或乙基，或者R^2和R^3一起是亚甲基；以及其药用盐。这些化合物具有抗炎、镇痛和退热活性，因此在治疗炎症、疼痛和/或发热方面具有用处。

  公开号：

  US04020094A1

文献信息

• 2-Substituted-5-oxo-5H-dibenzo-[A,D]cycloheptenes, the esters and ethers
  申请人：Syntex (U.S.A.) Inc.

  公开号：US03966820A1

  公开（公告）日：1976-06-29

  2-Substituted-5-oxo-5H-dibenzo [a,d]cycloheptenes represented by the following formula: ##SPC1## Where one of R.sup.2 and R.sup.3 is hydrogen, and the other is hydrogen, methyl, or ethyl, or together R.sup.2 and R.sup.3 are methylene; the dotted line represents an optional, additional bond between the carbon atoms at the 10- and 11-positions; and the pharmaceutically acceptable esters and ethers thereof. The compounds have anti-inflammatory, analgesic, and antipyretic activities and, accordingly, are useful in the treatment of inflammation, pain and pyrexia.

  2-取代-5-氧代-5H-二苯并[a,d]环庚烯，由以下公式表示：##SPC1## 其中R.sup.2和R.sup.3之一是氢，另一个是氢、甲基或乙基，或者R.sup.2和R.sup.3共同是亚甲基；虚线表示在10-和11-位置之间的碳原子之间可选的附加键；以及它们的药用可接受酯和醚。这些化合物具有抗炎、镇痛和解热活性，因此可用于治疗炎症、疼痛和发热。
• Pyridyl inhibitors of hedgehog signalling
  申请人：Gunzner L. Janet

  公开号：US20060063779A1

  公开（公告）日：2006-03-23

  The invention provides novel inhibitors of hedgehog signaling that are useful as a therapeutic agents for treating malignancies where the compounds have the general formula I: wherein A, X, Y R 1 , R 2 , R 3 , R 4 , m and n are as described herein.

  这项发明提供了一种新型的刺刺信号抑制剂，可用作治疗恶性肿瘤的治疗剂，其中化合物具有一般式I： 其中A、X、Y、R1、R2、R3、R4、m和n如本文所述。
• 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。
• Ionic liquid-decorated COF and its covalent composite aerogel for selective CO₂ adsorption and catalytic conversion
  作者：Luo-Gang Ding、Bing-Jian Yao、Fei Li、Shao-Chuan Shi、Ning Huang、Hua-Bing Yin、Qun Guan、Yu-Bin Dong

  DOI：10.1039/c8ta12046c

  日期：——

  fabricated by chemical crosslinking of an allyl-imidazolium ionic liquid-decorated COF (COF-IL) with a thiol-attached chitosan (chitosan–SH) binder via a photoinduced thiol–ene reaction. The crystalline structure, highly selective CO2 adsorption and catalytic conversion features of COF-IL were found to be well maintained in the composite aerogel. The generated covalently coupled COF–chitosan composite material

  大气中的CO 2与温室效应密切相关。因此，用于高选择性CO 2吸附和催化转化的新实用材料和技术势在必行。共价有机骨架（COF）与聚合物（低聚物）的共价复合物可能是满足CO 2处理多方面要求的一种有前途的方法。本文中，通过用烯丙基-咪唑鎓离子液体修饰的COF（COF-IL）与巯基连接的壳聚糖（chitosan-SH）粘合剂进行化学交联，设计和制造了一种新型的COF-壳聚糖复合气凝胶（COF-IL @ chitosan）。通过光诱导的硫醇-烯反应。晶体结构，高选择性CO 2在复合气凝胶中，COF-IL的吸附和催化转化特性得到了很好的维持。发现生成的共价偶联的COF-壳聚糖复合材料COF-IL @壳聚糖即使在COF含量非常高（高达80 wt％）的情况下也很坚固，均匀且可加工。更重要的是，可通过简单的模板冻干程序将可加工的COF-IL @壳聚糖气凝胶容易地成型为简化的固定床反应器模型，从而实现了规模化的可循环利用的CO
• 一种含离子液体结构基元的共价-有机骨架催 化反应器及其制备方法与应用
  申请人：山东师范大学

  公开号：CN108947983B

  公开（公告）日：2020-05-05

  本公开涉及一种含咪唑盐离子液体结构基元的共价‑有机骨架晶体材料，并通过巯基‑烯Click反应，以共价键的形式将含离子液体结构基元的共价‑有机骨架材料锚定在壳聚糖基体中，发展了基于共价交联的共价‑有机骨架材料器件化新策略。该含咪唑盐离子液体结构基元的共价‑有机骨架晶体材料对CO2具有较高的选择性吸附和催化性能，在气体分离及催化转化中具有良好的应用潜力。共价‑有机骨架晶体材料的上述特性在复合气凝胶中得到了很好的保持，并可用固定床催化反应器，实现在常压下对CO2的环加成反应的流经式连续催化，为替代传统的反应瓶催化体系提供了新的思路。