2-[4-(4-氟苯基)苯基]乙酸 | 6908-38-9

• 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-[4-(4-氟苯基)苯基]乙酸
• 英文名称: 2-(4'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid
• 英文别名: 2-[4-(4-fluorophenyl)phenyl]acetic Acid
• CAS: 6908-38-9
• 化学式: C₁₄H₁₁FO₂
• 分子量: 230.239
• InChiKey: HQQLXERSPFVWEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  3
• 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：
  3

安全信息

• 海关编码：
  2916399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: [4-(4-Fluorophenyl)phenyl]acetic acid
Synonyms:

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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: [4-(4-Fluorophenyl)phenyl]acetic acid
CAS number: 6908-38-9

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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: C14H11FO2
Molecular weight: 230.2

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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, hydrogen fluoride.

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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：

  2-[4-(4-氟苯基)苯基]乙酸 在 五氯化磷 、 三氟化硼乙醚 作用下， 生成 6-Chloro-3-(4'-fluorobiphenyl-4-yl)-7-hydroxy-chromen-4-one
  参考文献：
  名称：

  The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors

  摘要：

  High-throughput screening identified the 3,4-diarylpyrazole CCT018159 as a novel and potent (7.1 mu M) inhibitor of Hsp90 ATPase activity. Here, we describe the synthesis of CCT018159 and a number of close analogues together with data on their biochemical properties. Some initial structure-activity relationships are discussed, as well as the crystal structure of CCT018159 bound to Hsp90. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.046
• 作为产物：
  描述：

  4-溴苯乙酸甲酯 在 sodium metaborate tetrahydrate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 6.5h， 生成 2-[4-(4-氟苯基)苯基]乙酸
  参考文献：
  名称：

  ビメソゲン化合物およびメソゲン性媒体

  摘要：

  该发明涉及一种被表示为式I的双向列状液晶化合物，其中R11、R12、MG11、MG12和CG1在权利要求1中具有所述含义，以及该双向列状液晶化合物在式I中表示的液晶介质的使用，特别是涉及包含该液晶介质的柔性电致液晶装置的本发明。

  公开号：

  JP2018505143A

文献信息

• [EN] GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES<br/>[FR] INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2015042397A1

  公开（公告）日：2015-03-26

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

  本文描述了一种I式化合物，制备这种化合物的方法，含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与葡萄糖酰胺合成酶（GCS）相关的疾病或症状的方法。
• A highly efficient catalyst of a nitrogen-based ligand for the Suzuki coupling reaction at room temperature under air in neat water
  作者：Shiwen Liu、Meiyun Lv、Daoan Xiao、Xiaogang Li、Xiuling Zhou、Mengping Guo

  DOI：10.1039/c3ob42517g

  日期：——

  Glycine is used to prepare an air-stable and water-soluble catalyst for the Suzuki–Miyaura reaction. In the presence of 0.1% [PdCl₂(NH₂CH₂COOH)₂], excellent catalytic activity is observed at room temperature under air in neat water.

  甘氨酸被用来制备一种空气稳定且水溶性的催化剂，用于Suzuki–Miyaura反应。在0.1% [PdCl₂(NH₂CH₂COOH)₂]存在下，在纯净水中，在室温下观察到优异的催化活性。
• Green synthesis of biphenyl carboxylic acids via Suzuki–Miyaura cross-coupling catalyzed by a water-soluble fullerene-supported PdCl₂ nanocatalyst
  作者：Wanyun Liu、Xiuming Zhou、Ping Huo、Jingbo Li、Guangquan Mei

  DOI：10.1177/1747519819836505

  日期：2019.1

  A green synthesis of variously substituted biphenyl carboxylic acids was achieved through Suzuki–Miyaura cross-coupling of a bromobenzoic acid with an aryl boronic acid using a water-soluble fullerene-supported PdCl₂ nanocatalyst (C₆₀-TEGs/PdCl₂). Yields of more than 90% were obtained at room temperature in 4 h using 0.05 mol% catalyst and 2 equiv. K₂CO₃.

  通过C60-TEGs/PdCl2纳米催化剂（C60-TEGs/PdCl2）在室温下，使用0.05 mol%催化剂和2当量K2CO3，通过溴苯甲酸与芳基硼酸的Suzuki–Miyaura交叉偶联，实现了各种取代联苯甲酸的绿色合成。在4小时内获得了90%以上的产率。
• Compositions and methods of treating cell proliferation disorders
  申请人：Hangauer G. David

  公开号：US20060160800A1

  公开（公告）日：2006-07-20

  The invention relates to compounds and methods for treating cell proliferation disorders.

  这项发明涉及化合物和治疗细胞增殖紊乱的方法。
• Novel pyridopyprimidinone derivatives which are HM74A agonists
  申请人：Conte Aurelia

  公开号：US20070275987A1

  公开（公告）日：2007-11-29

  The invention is concerned with novel pyridopyrimidinone derivatives of formula (I): wherein R 1 to R 8 , X, Y, m and n are as defined in the description and in the claims. The compounds of the present invention are HM74A agonists with improved properties compared to niacin and can be used for the treatment and/or prevention of diseases such as dyslipidemia, atherosclerosis, diabetes, metabolic syndrome, and other related diseases associated with HM74A.

  这项发明涉及式(I)的新型吡啶吡嘧啶酮衍生物：其中R1至R8、X、Y、m和n如描述和索赔中所定义。本发明的化合物是HM74A激动剂，与烟酸相比具有改进的性能，并可用于治疗和/或预防与HM74A相关的疾病，如脂质代谢异常、动脉粥样硬化、糖尿病、代谢综合征和其他与HM74A相关的疾病。