3-甲基-[1,1-联苯]-2-羧酸 | 92254-02-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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: 3-甲基-[1,1-联苯]-2-羧酸
• 英文名称: 3-methylbiphenyl-2-carboxylic acid
• 英文别名: 3-methyl-[1,1'-biphenyl]-2-carboxylic acid；6-Methyl-2-phenylbenzoic acid；2-methyl-6-phenylbenzoic acid
• CAS: 92254-02-9
• 化学式: C₁₄H₁₂O₂
• 分子量: 212.248
• InChiKey: ZORGKHKVEAHWEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Methyl-2-phenylbenzoic acid
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Methyl-2-phenylbenzoic acid
CAS number: 92254-02-9

---

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: C14H12O2
Molecular weight: 212.2

---

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：

  3-甲基-[1,1-联苯]-2-羧酸 在 甲烷磺酸 作用下， 以95%的产率得到1-甲基-9H-芴-9-酮
  参考文献：
  名称：

  联合执导邻金属化，分子内的Friedel-Crafts连接。区域特异性途径合成1-取代的fluores-9-ones

  摘要：

  通过串联金属化反应，从2-联苯基羧酸1与仲丁基锂在THF中在-78°C下串联反应，制得3a – j型邻位取代的2-联苯基羧酸，然后用亲电试剂淬灭。用甲磺酸处理后，羧酸3a – f被转化为1-取代的芴酮4a – f。

  DOI：

  10.1016/s0040-4039(02)01976-7
• 作为产物：
  描述：

  3-methyl-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)biphenyl-2-carboxamide 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 反应 8.0h， 以90%的产率得到3-甲基-[1,1-联苯]-2-羧酸
  参考文献：
  名称：

  Pd(II) 催化的 C(sp2)–H 键与烷基、芳基和乙烯基硼试剂通过 Pd(II)/Pd(0) 催化的交叉偶联

  摘要：

  通过 Pd(II)/Pd(0) 催化实现了苯甲酸和苯乙酰胺中邻位 CH 键与烷基、芳基和乙烯基硼试剂的 Pd(II) 催化交叉偶联，这证明了前所未有的CH 活化反应的多功能性。

  DOI：

  10.1246/cl.2011.1004

文献信息

• Iridium-Catalyzed<i>ortho</i>-Arylation of Benzoic Acids with Arenediazonium Salts
  作者：Liangbin Huang、Dagmar Hackenberger、Lukas J. Gooßen

  DOI：10.1002/anie.201505769

  日期：2015.10.19

  In the presence of catalytic [IrCp*Cl2}2] and Ag2CO3, Li2CO3 as the base, and acetone as the solvent, benzoic acids react with arenediazonium salts to give the corresponding diaryl‐2‐carboxylates under mild conditions. This CH arylation process is generally applicable to diversely substituted substrates, ranging from extremely electron‐rich to electron‐poor derivatives. The carboxylate directing

  在催化[IrCp * Cl 2 } 2 ]和Ag 2 CO 3，Li 2 CO 3为碱，丙酮为溶剂的情况下，苯甲酸与槟榔重氮盐反应生成相应的二芳基-2-羧酸盐温和的条件。这种CH芳基化过程通常适用于各种取代的底物，范围从极富电子的至贫电子的衍生物。羧酸根导向基团是广泛可得的，可以无痕地除去或用于进一步的衍生作用。通过使用重氮盐可实现与卤化物交叉偶联的正交性，即使存在碘取代基也可将其偶联。
• Intramolecular Aromatic C–H Acyloxylation Enabled by Iron Photocatalysis
  作者：Siqi Xia、Kunjun Hu、Chuanhu Lei、Jian Jin

  DOI：10.1021/acs.orglett.0c00002

  日期：2020.2.21

  protocol for the intramolecular aromatic C-H oxygenation of 2-biphenylcarboxylic acids has been achieved via iron photocatalysis. The 2-biphenylcarboxylic acids with a diverse array of substituents at both phenyl rings could furnish the oxygenation products in good to excellent yields. We speculate that the aryl carboxylate-iron(III) complexes should generate the aroyloxy radicals and iron(II) upon visible

  通过铁光催化已经实现了温和而有效的2-联苯基羧酸分子内芳族CH氧化的方案。在两个苯环上具有各种取代基的2-联苯羧酸可以很好的产率提供氧化产物。我们推测，在可见光照射下，芳基羧酸盐-铁（III）配合物应生成芳酰氧基和铁（II）。
• [EN] AROMATIC ESTERS AND POLYESTERS, PRODUCTION WITHOUT ESTERIFICATION CATALYST, AND USE<br/>[FR] ESTERS ET POLYESTERS AROMATIQUES, PRODUCTION SANS CATALYSEUR D'ESTÉRIFICATION, ET UTILISATION
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2017222692A1

  公开（公告）日：2017-12-28

  This disclosure relates to methods for production of aromatic esters useful as plasticizers without using esterification catalyst, to the aromatic esters, and to polymer compositions containing the aromatic esters. It also relates to producing aromatic polyesters without using esterification catalyst. The aromatic esters and polyesters can be produced catalyst-free by esterifying carboxylic acids with alcohol(s) at high temperature and high pressure, namely at a temperature from 100°C to 350°C and a pressure ≥ 100 psig, preferably ≥ 600 psig. The aromatic esters and polyesters can also be produced by esterifying without esterification catalyst carboxylic acids with methyl or ethyl alcohol, separating the resulting methyl or ethyl esters from the carboxylic acid and any byproduct impurities, and then transesterifying with or without esterification catalyst the methyl or ethyl esters with alcohols and/or diols.

  这份披露涉及生产芳香酯的方法，这些芳香酯可用作增塑剂，而无需使用酯化催化剂，还涉及到含有这些芳香酯的聚合物组合物。它还涉及在不使用酯化催化剂的情况下生产芳香聚酯。这些芳香酯和聚酯可以通过在高温高压下，即在温度为100°C至350°C、压力≥100 psig（最好≥600 psig）的条件下，无需催化剂地通过羧酸与醇的酯化来生产。这些芳香酯和聚酯也可以通过在不使用酯化催化剂的情况下，将羧酸与甲醇或乙醇酯化，将产生的甲醇或乙醇酯与羧酸和任何副产物杂质分离，然后通过酯化或不酯化催化剂与醇和/或二醇进行酯交换来生产。
• An organic cation as a silver(<scp>i</scp>) analogue for the arylation of sp² and sp³ C–H bonds with iodoarenes
  作者：Carlos Arroniz、J. Gabriel Denis、Alan Ironmonger、Gerasimos Rassias、Igor Larrosa

  DOI：10.1039/c4sc01215a

  日期：——

  A general, cost-effective and sustainable replacement for silver in palladium catalysed direct arylations of C(sp²)–H and C(sp³)–H bonds.

  一种通用、具有成本效益且可持续的替代品，用于钯催化的直接芳基化反应中取代银在C(sp²)-H和C(sp³)-H键中的作用。
• 신규한 유기화합물, 상기 유기화합물을 포함하는 유기 전계발광 소자용 재료 및 유기 전계발광 소자
  申请人：NANJING TOPTO MATERIALS CO., LTD. 난징고광반도체재료유한회사(520150650957)

  公开号：KR20200108162A

  公开（公告）日：2020-09-17

  본 발명은 화학식 1로 표시되는 신규한 유기화합물, 상기 유기화합물을 포함하는 유기 전계발광 소자용 재료 및 유기 전계발광 소자를 제공한다.

  本发明提供了一种被表示为化学式1的新有机化合物，包括所述有机化合物的有机电致发光器件材料和有机电致发光器件。