4-联苯-(2-甲氧基)羧酸 | 5728-32-5

• 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: 4-联苯-(2-甲氧基)羧酸
• 中文别名: 4-(2-甲氧基苯基)苯甲酸；2-甲氧基二苯-4-羧酸
• 英文名称: 4-(2-methoxyphenyl)benzoic acid
• 英文别名: 2'-methoxy-[1,1'-biphenyl]-4-carboxylic acid；2'-methoxybiphenyl-4-carboxylic acid
• CAS: 5728-32-5
• 化学式: C₁₄H₁₂O₃
• mdl: MFCD03424600
• 分子量: 228.247
• InChiKey: YQLGXBYAHYGABI-UHFFFAOYSA-N

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
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Methoxyphenyl)benzoic 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-(2-Methoxyphenyl)benzoic acid
CAS number: 5728-32-5

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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: 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：

  4-联苯-(2-甲氧基)羧酸 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 24.0h， 生成 2'-methoxybiphenyl-4-carbonyl chloride
  参考文献：
  名称：

  [EN] SYNTHESIS OF (2S,5R)-5-(2-CHLOROPHENYL)-1-(2'-METHOXY-[1,1'-BIPHENYL]-4-CARBONYL)PYRROLIDINE-2-CARBOXYLIC ACID
  [FR] SYNTHÈSE D'ACIDE (2S,5R)-5-(2-CHLOROPHÉNYL)-1-(2'-MÉTHOXY-[1,1'-BIPHÉNYL]-4-CARBONYL)PYRROLIDINE-2-CARBOXYLIQUE

  摘要：

  本发明涉及一种制备(2S,5R)-5-(2-氯苯基)-1-(2'-甲氧基-[1,1'-联苯]-4-羰基)吡咯烷-2-羧酸（1）的制造过程，包括制备(2S,5R)-甲基5-(2-氯苯基)吡咯烷-2-羧酸酯盐酸盐（6.HCl）作为合成的中间体。

  公开号：

  WO2021250174A1
• 作为产物：
  描述：

  methyl 2'-methoxy-[1,1'-biphenyl]-4-carboxylate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 4-联苯-(2-甲氧基)羧酸
  参考文献：
  名称：

  [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES
  [FR] COMPOSÉS, COMPOSITION PHARMACEUTIQUE ET MÉTHODES À UTILISER DANS LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  本发明涉及一种化合物，其化学式为(I)，用于治疗和/或预防炎症性疾病。

  公开号：

  WO2015078949A1

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。
• Hexagonal Boron Nitride Supported N-Heterocyclic Carbene-Palladium(II): A New, Efficient and Recyclable Heterogeneous Catalyst for Suzuki–Miyaura Cross-Coupling Reaction
  作者：Arnet Maria Antony、Vishal Kandathil、Manjunatha Kempasiddaiah、B. S. Sasidhar、Shivaputra A. Patil、Siddappa A. Patil

  DOI：10.1007/s10562-020-03401-x

  日期：2021.5

  h-BN@NHC-Pd heterogeneous catalyst was studied in the Suzuki–Miyaura cross-coupling reactions between aryl halides and arylboronic acids in aqueous medium at room temperature. The effects of varying solvents, bases, temperature, time and catalytic ratios on the performance of the Suzuki–Miyaura cross-coupling reaction were investigated. Moreover, h-BN@NHC-Pd heterogeneous catalyst could be easily recovered

  在这项研究中，设计并合成了一种新型稳定且功能强大的六方氮化硼负载 N-杂环卡宾-钯 (II) 络合物 (h-BN@NHC-Pd) 多相催化剂。h-BN@NHC-Pd多相催化剂的结构通过傅里叶变换红外光谱（FT-IR）、紫外-可见光谱（UV-Visible）、电感耦合等离子体发射光谱（ICP- OES)、能量色散 X 射线光谱 (EDS)、场发射扫描电子显微镜 (FESEM)、透射电子显微镜 (TEM)、X 射线粉末衍射 (XRD)、热重分析 (TGA) 和 Brunauer-Emmett-出纳表面积分析 (BET)。然后在室温下在水性介质中芳基卤化物和芳基硼​​酸之间的 Suzuki-Miyaura 交叉偶联反应中研究了 h-BN@NHC-Pd 多相催化剂的催化活性。研究了不同溶剂、碱、温度、时间和催化比率对 Suzuki-Miyaura 交叉偶联反应性能的影响。此外，h-BN@NHC-P
• N-acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020055631A1

  公开（公告）日：2002-05-09

  N-Benzoyl arylsulfonamides having the formula 1 are BCL-Xl inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-Xl inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-Xl抑制剂，有助于促进细胞凋亡。还公开了BCL-Xl抑制组合物和在哺乳动物中促进细胞凋亡的方法。
• N-Acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020086887A1

  公开（公告）日：2002-07-04

  N-Benzoyl arylsulfonamides having the formula 1 Are BCL-X1 inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-X1 inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-X1抑制剂，有助于促进细胞凋亡。还公开了BCL-X1抑制组合物和在哺乳动物中促进细胞凋亡的方法。