3-甲氧基-联苯-4-羧酸 | 5783-36-8

• 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-甲氧基-联苯-4-羧酸
• 中文别名: 3'-甲氧基二苯基-4-羧酸,96%
• 英文名称: 3'‐methoxy‐(1,1'‐biphenyl)‐4‐carboxylic acid
• 英文别名: 3'-methoxy-[1,1'-biphenyl]-4-carboxylic acid；3'-methoxy-4-biphenylcarboxylic acid；3'-methoxy[1,1'-biphenyl]-4-carboxylic acid；3'-methoxybiphenyl-4-carboxylic acid；4-(3-methoxyphenyl)benzoic Acid
• CAS: 5783-36-8
• 化学式: C₁₄H₁₂O₃
• mdl: MFCD03424601
• 分子量: 228.247
• InChiKey: OAMJQKDGQYAQKD-UHFFFAOYSA-N

物化性质

• 熔点：
  197-198℃
• 沸点：
  399.4±25.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4-(3-Methoxyphenyl)benzoic acid
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
4-(3-Methoxyphenyl)benzoic acid
Ingredient name:
CAS number: 5783-36-8

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C14H12O3
Molecular weight: 228.2

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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-甲氧基-联苯-4-羧酸 在 氯化亚砜 作用下， 生成 3'-methoxybiphenyl-4-carboxylic acid chloride
  参考文献：
  名称：

  [EN] MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS
  [FR] INHIBITEURS DE PHOSPHATASE DE CHAÎNE LÉGÈRE DE MYOSINE

  摘要：

  新型肌球蛋白轻链磷酸酶抑制剂，含有它们的组合物，制备和使用它们的方法，以及使用荧光肌球蛋白轻链磷酸酶抑制剂的方法被描述。

  公开号：

  WO2009146013A1
• 作为产物：
  描述：

  4-(3-甲氧基苯基)苯甲酸乙酯 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 3-甲氧基-联苯-4-羧酸
  参考文献：
  名称：

  Identification and Initial Structure−Activity Relationships of a Novel Class of Nonpeptide Inhibitors of Blood Coagulation Factor Xa

  摘要：

  The discovery and some of the basic structure-activity relationships of a series of novel nonpeptide inhibitors of blood coagulation Factor Xa is described. These inhibitors are functionalized p-alanines, exemplified by 2a. Docking experiments placing 2a in the active site of Factor Xa implied that the Most expeditious route to enhancing in vitro potency was to modify the group occupying the S3 site of the enzyme. Increasing the hydrophobic contacts between the inhibitor and the enzyme in this region led to 8, which has served as the prototype for this series. In addition, an enantioselective synthesis of these substituted p-alanines was also developed.

  DOI：

  10.1021/jm970482y

文献信息

• Inhibitors of cathepsin S
  申请人：IRM LLC

  公开号：US20040198780A1

  公开（公告）日：2004-10-07

  The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme (e.g., cathespin K). The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.

  本发明提供了用于选择性抑制蛋白酶S的化合物、组合物和方法。在一个优选方面，当至少存在另一种蛋白酶同工酶（例如，蛋白酶K）时，选择性地抑制蛋白酶S。本发明还提供了通过选择性抑制蛋白酶S来治疗受试者疾病状态的方法。
• Amidocarboxylic acid derivatives
  申请人：Sankyo Company, Limited

  公开号：US06528525B1

  公开（公告）日：2003-03-04

  Amidocarboxylic acid derivatives of the formula: wherein R1 represents a hydrogen atom, etc.; R2 represents an alkylene group; R3 represents a hydrogen atom, etc.; R4 represents a hydrogen atom, etc.; X represents a substituted or unsubstituted aryl group, etc.,; Y represents an oxygen atom, etc.; Z represents an alkylene group, etc.; and W represents an alkyl group, etc.; and pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof are useful as the active ingredient of pharmaceutical compositions. They may be used to treat specified diseases, including diabetes mellitus, hyperlipemia, arteriosclerosis, hypertension, etc.

  公式为：其中R1代表氢原子，等等；R2代表烷基团；R3代表氢原子，等等；R4代表氢原子，等等；X代表取代或未取代的芳基团，等等；Y代表氧原子，等等；Z代表烷基团，等等；W代表烷基团，等等；以及其药理学上可接受的盐和药理学上可接受的酯作为药物组合物的活性成分是有用的。它们可用于治疗特定疾病，包括糖尿病、高脂血症、动脉硬化、高血压等。
• Microwave-assisted Negishi and Kumada cross-coupling reactions of aryl chloridesElectronic supplementary information (ESI) available: Experimental procedures and spectral data. See http://www.rsc.org/suppdata/cc/b3/b313887a/
  作者：Peter Walla、C. Oliver Kappe

  DOI：10.1039/b313887a

  日期：——

  Rapid Pd or Ni-catalyzed microwave-accelerated Negishi and Kumada cross-coupling reactions of aryl chlorides in solution and on solid phase are reported.

  报告了一种快速钯或镍催化的微波加速Negishi和Kumada交叉偶联反应，该反应在溶液中和固相上对芳基氯化物进行。
• Design and synthesis of cyanamides as potent and selective N-acylethanolamine acid amidase inhibitors
  作者：Michael S. Malamas、Shrouq I. Farah、Manjunath Lamani、Dimitrios N. Pelekoudas、Nicholas Thomas Perry、Girija Rajarshi、Christina Yume Miyabe、Honrao Chandrashekhar、Jay West、Spiro Pavlopoulos、Alexandros Makriyannis

  DOI：10.1016/j.bmc.2019.115195

  日期：2020.1

  inflammation and pain. Thus, blocking the degradation of PEA with NAAA inhibitors results in augmentation of the PEA/PPAR-α signaling pathway and regulation of inflammatory and pain processes. We have prepared a new series of NAAA inhibitors exploring the azetidine-nitrile (cyanamide) pharmacophore that led to the discovery of highly potent and selective compounds. Key analogs demonstrated single-digit nanomolar

  N-酰基乙醇胺酸酰胺酶（NAAA）抑制代表了一种激动人心的新颖方法，用于治疗炎症和疼痛。NAAA是半胱氨酸酰胺酶，可优先水解内源性生物脂质棕榈酰乙醇酰胺（PEA）和油酰乙醇酰胺（OEA）。PEA是核过氧化物酶体增殖物激活受体-α（PPAR-α）的内源性激动剂，PPAR-α是炎症和疼痛的关键调节剂。因此，用NAAA抑制剂阻止PEA的降解会导致PEA /PPAR-α信号传导途径的增强以及炎症和疼痛过程的调节。我们准备了一系列新的NAAA抑制剂，用于研究氮杂环丁烷-腈（氰胺）药效团，从而发现了高效且选择性强的化合物。关键类似物显示出hNAAA的一位数纳摩尔效价，并显示> 对丝氨酸水解酶FAAH，MGL和ABHD6和半胱氨酸蛋白酶组织蛋白酶K的选择性是100倍。此外，我们已经确定了有效的和选择性的双重NAAA-FAAH抑制剂来研究两种不同的抗炎分子途径PEA / PPAR之间的潜在协同作用-α抗炎
• Poly(o-aminothiophenol)-stabilized Pd nanoparticles as efficient heterogenous catalysts for Suzuki cross-coupling reactions
  作者：Yuan Chen、Minggui Wang、Long Zhang、Yan Liu、Jie Han

  DOI：10.1039/c7ra09947a

  日期：——

  surfactant. The redox reaction between o-aminothiophenol and Pd(NO3)2 leads to the simultaneous formation of a PATP polymer and Pd nanoparticles. The PATP-stabilized Pd nanoparticles have been characterized by TEM, FTIR, XRD, ICP-MS and XPS. Catalytic results showed that PATP-stabilized Pd nanoparticles were highly stable and active catalysts for Suzuki cross-coupling reactions, where high yields could

  聚（Ô -aminothiophenol）（PATP） -稳定的钯纳米粒子与钯纳米粒子包埋在聚合物基质已通过混合通过一个浅显一步法途径获得ö -aminothiophenol单体和Pd（NO 3）2在酸性水溶液中，而不其他模板或表面活性剂。邻氨基苯硫酚与Pd（NO 3）2的氧化还原反应导致同时形成PATP聚合物和Pd纳米颗粒。通过TEM，FTIR，XRD，ICP-MS和XPS对PATP稳定的Pd纳米颗粒进行了表征。催化结果表明，PATP稳定的Pd纳米颗粒是铃木交叉偶联反应的高度稳定和活性催化剂，其中芳基硼酸和带有多种取代基的芳基卤化物可以实现高收率。