3-(4-羟基苯基)苯甲醛 | 283147-95-5

• 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-(4-羟基苯基)苯甲醛
• 英文名称: 4'-hydroxy-[1,1'-biphenyl]-3-carbaldehyde
• 英文别名: 3'-formyl-biphenyl-4-ol；4-hydroxy-biphenyl-3-carboxaldehyde；4-(3-Formylphenyl)phenol；3-(4-hydroxyphenyl)benzaldehyde
• CAS: 283147-95-5
• 化学式: C₁₃H₁₀O₂
• mdl: MFCD04117372
• 分子量: 198.221
• InChiKey: OFJMZKYZSGGGPW-UHFFFAOYSA-N

物化性质

• 熔点：
  130-133 °C
• 沸点：
  378.8±25.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2912499000

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(3-Formylphenyl)phenol
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-(3-Formylphenyl)phenol
CAS number: 283147-95-5

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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: C13H10O2
Molecular weight: 198.2

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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.

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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：

  3-(4-羟基苯基)苯甲醛 在 indium(III) chloride 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 52.0h， 生成 2-(4-(2-azidoethoxy)phenyl)-N-(2-(dodecylamino)-2-oxo-1-(4'-(prop-2-yn-1-yloxy)-[1,1'-biphenyl]-3-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)acetamide
  参考文献：
  名称：

  含联芳三唑环芳烃的多组分合成及抗增殖筛选

  摘要：

  我们报告了一种实用的两步法，涉及 Ugi 4-CR/叠氮化物-炔烃环加成反应，用于合成含联芳基的环烷。该系列代表了我们之前报道的大环化合物的延伸，旨在增强该支架的抗增殖活性。在这个变体中，我们在框架中加入了一个联苯部分，从而增强了大环的大小、亲脂性和结构多样性。大环化合物针对不同的细胞系进行了测试，对前列腺（PC-3 和 DU-145）和乳腺（MCF-7）肿瘤细胞具有更强的细胞毒性。令人欣慰的是，与我们之前的系列相比，最活跃的化合物显示出对 PC-3 生长抑制的显着增强，再次肯定了这种环烷类化合物的潜在抗增殖活性。

  DOI：

  10.1016/j.bmcl.2021.127899
• 作为产物：
  描述：

  在 ammonium cerium (IV) nitrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以74%的产率得到3-(4-羟基苯基)苯甲醛
  参考文献：
  名称：

  用于固相合成的氧化活化安全捕获连接剂。

  摘要：

  已开发出一种基于N-苄基-4-氨基-2,2-二甲基丁酸的系统，该系统是一种新型的氧化活化安全捕获连接剂，用于反应监控和固体载体上的优化。在溶液相模型研究和固相研究中均证实了CAN可以促进叔N-苄胺基部分的氧化脱苄基作用，随后伴随环化反应以及醇和胺的释放。接头系统已应用于一系列苯酚衍生物的固相合成，并已证明手性助剂从固相载体上的附着和释放。

  DOI：

  10.1039/b802204f

文献信息

• [EN] PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS PHÉNYLALANINES ET LEUR UTILISATION COMME MODULATEURS NON PEPTIDIQUES DU RÉCEPTEUR DE GLP-1
  申请人：ARGUSINA INC

  公开号：WO2011094890A1

  公开（公告）日：2011-08-11

  Provided herein are non-peptide GLP-1 receptor modulator compounds, for example, of Formula (I), pharmaceutical compositions comprising such compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of a metabolic disorder.

  本文提供了非肽类GLP-1受体调节剂化合物，例如，Formula (I)的化合物，包括这些化合物的药物组合物，以及其制备方法。还提供了这些化合物用于治疗代谢紊乱的方法。
• Ionic Liquid Acceleration of Solid-Phase Suzuki−Miyaura Cross-Coupling Reactions
  作者：Jefferson D. Revell、A. Ganesan

  DOI：10.1021/ol0263292

  日期：2002.9.1

  [reaction: see text] Room-temperature ionic liquids promote various transition metal-catalyzed reactions in the solution phase. Here, for the first time, we show that these effects are translatable to solid-phase reactions. The Suzuki-Miyaura cross-coupling of 4-iodophenol immobilized on polystyrene-Wang resin with various arylboronic acids was significantly accelerated by the ionic liquid 1-butyl

  [反应：见正文]室温离子液体在溶液相中促进各种过渡金属催化的反应。在这里，我们首次展示了这些作用可转化为固相反应。离子液体1-丁基-3-甲基咪唑四氟硼酸酯（[bmim] [BF（4）（-）]）显着加速了固定在聚苯乙烯-Wang树脂上的4-碘苯酚与各种芳基硼酸的Suzuki-Miyaura交叉偶联。 。
• NOVEL TRISPHENOL COMPUND
  申请人：Yoshitomo Akira

  公开号：US20120220805A1

  公开（公告）日：2012-08-30

  A trisphenol compound is expressed by formula (1), wherein R represents an alkyl group or alkoxyl group with 1 to 8 carbon atoms, phenyl group or hydroxyl group; R 1 represents an alkyl group or alkoxyl group with 1 to 8 carbon atoms, or phenyl group; R 2 represents an alkyl group or alkoxyl group with 1 to 8 carbon atoms; R 3 represents a hydrogen atom or alkyl group with 1 to 8 carbon atoms; a represents 0, 1, 2, or 3; b represents 1 or 2; and c and d represent 0, 1, 2, 3, or 4; where the sum of b and c is 5 or less; R's may be either the same or different when a is 2 or more; R 1 's may be either the same or different when c is 2 or more; and R 2 's may be either the same or different when d is 2 or more.

  一种三酚化合物由式（1）表示，其中R代表具有1至8个碳原子的烷基基团或烷氧基基团，苯基或羟基；R1代表具有1至8个碳原子的烷基基团或烷氧基基团，或苯基；R2代表具有1至8个碳原子的烷基基团或烷氧基基团；R3代表氢原子或具有1至8个碳原子的烷基基团；a代表0、1、2或3；b代表1或2；c和d代表0、1、2、3或4；其中b和c的和小于或等于5；当a大于等于2时，R可能相同也可能不同；当c大于等于2时，R1可能相同也可能不同；当d大于等于2时，R2可能相同也可能不同。
• [EN] COMPOUNDS AND METHODS FOR PROMOTING PLANT GROWTH<br/>[FR] COMPOSÉS ET PROCÉDÉS PERMETTANT DE FAVORISER LA CROISSANCE DES PLANTES
  申请人：UNIV KING ABDULLAH SCI & TECH

  公开号：WO2021079356A1

  公开（公告）日：2021-04-29

  Disclosed herein are compounds and methods for promoting plant growth. Formulations containing one or more disclosed compounds or salts thereof, and one or more excipients are disclosed. The formulation adjuvant can be a solid carrier, a liquid carrier, or a surface-active agent. Methods for promoting plant growth typically includes applying one or more formulations to a plant, a plant part, or a growing site of plant. The plant can be a cereal, grain, or vegetable plant. The plant part can be seed or seedling of a plant. The growing site of plant can be soil before, during, or after the plant is planted or a growing medium. In some embodiments, the one or more compounds or salts thereof in the one or more formulations are in an effective amount to decrease biosynthesis and release of strigolactone plant hormones from the plant.

  本文披露了一些用于促进植物生长的化合物和方法。披露了含有一种或多种上述化合物或其盐以及一种或多种赋形剂的配方。该配方助剂可以是固体载体、液体载体或表面活性剂。促进植物生长的方法通常包括将一种或多种配方施用于植物、植物部位或植物的生长场地。植物可以是谷物、粮食或蔬菜植物。植物部位可以是植物的种子或幼苗。植物的生长场地可以是植物种植前、种植期间或种植后的土壤或生长介质。在某些实施例中，一种或多种配方中的一种或多种化合物或其盐的含量足以降低植物中异激素赤霉素的生物合成和释放。
• [EN] BIFEPRUNOX DERIVATIVES<br/>[FR] DÉRIVÉS DE BIFÉPRUNOX
  申请人：SOLVAY PHARM BV

  公开号：WO2009090177A1

  公开（公告）日：2009-07-23

  The present invention relates to bifeprunox derivatives of the formula (I) wherein R1 is one substituent selected from 3-OH, 4-OH, 3-OSO3H and 4-OSO3H; R2 is H; or an N-oxide or a pharmaceutically acceptable salt, a solvate or hydrate thereof, which are potent ligands for the dopamine D2 receptor, exhibiting strong partial dopamine D2 agonistic effects with a percentage agonism significantly higher than bifeprunox. The compounds of the invention may be used in the treatment, alleviation or prevention of dopamine D2 receptor mediated diseases and conditions requiring dopamine D2 agonistic effects.

  本发明涉及公式（I）的bifeprunox衍生物，其中R1是从3-OH、4-OH、3-OSO3H和4-OSO3H中选择的一个取代基；R2是H；或者是N-氧化物或药学上可接受的盐、溶剂或水合物，它们是多巴胺D2受体的有效配体，展示出强烈的部分多巴胺D2激动作用，其激动百分比显著高于bifeprunox。本发明的化合物可用于治疗、缓解或预防多巴胺D2受体介导的疾病和需要多巴胺D2激动作用的情况。