2-甲酰基-联苯-4-羧酸 | 205871-49-4

• 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-甲酰基-联苯-4-羧酸
• 中文别名: 2'-甲酰基-[1,1'-联苯]-4-羧酸；2'-甲酰-[1,1'-联苯]-4-羧酸
• 英文名称: 2'-formylbiphenyl-4-carboxylic acid
• 英文别名: 2'-formyl-1,1'-biphenyl-4-carboxylic acid；4-(2-formylphenyl)benzoic Acid
• CAS: 205871-49-4
• 化学式: C₁₄H₁₀O₃
• 分子量: 226.232
• InChiKey: WCKIOKGQNVOJGT-UHFFFAOYSA-N

物化性质

• 沸点：
  442.9±38.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2918300090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335
• 储存条件：
  2-8℃，惰性气体

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Formylphenyl)benzoic acid
Synonyms: 2’-formyl-biphenyl-4-carboxylic acid

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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-Formylphenyl)benzoic acid
CAS number: 205871-49-4

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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: C14H10O3
Molecular weight: 226.2

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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：

  2-甲酰基-联苯-4-羧酸 在 间氯过氧苯甲酸 、 potassium hydroxide 作用下， 以 二氯甲烷 、 甲醇 、 水 为溶剂， 反应 1.0h， 以56 mg的产率得到2-羟基-[1,1-联苯]-4-羧酸
  参考文献：
  名称：

  联苯-4-羧酸及其衍生物（即4-苯基水杨酸和5-苯基水杨酸）的光芬顿选择性和光催化羟基化反应

  摘要：

  使用部分TiO 2介导的光催化降解和光芬顿条件，确定了4-苯基苯甲酸，4-苯基水杨酸和5-苯基水杨酸的远端羟基化的选择性。结合位点与被羟基化的苯基的这种分离可以减少偏倚的评估。假定4-羧基苯基是一个略微吸电子的取代基，则羟基化区域化学反应的性质与亲电反应的定性一致。由于电子需求的逆转，同时吸附到TiO 2上，使4-和5-苯基水杨酸中远端苯基的羟化选择性逆转假定这两个结构的表面相似。版权所有©2011 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.1839
• 作为产物：
  描述：

  4-溴苯甲酸 、 2-甲酰基苯硼酸 在 C₃₂H₂₆Cl₂N₈O₄Pd₂ 、 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 0.13h， 以95%的产率得到2-甲酰基-联苯-4-羧酸
  参考文献：
  名称：

  钳状配体的模拟物：双核Pd（II）配合物和水中的高周转催化剂的无磷N-（嘧啶-2-基）-1,2-唑-3-羧酰胺骨架。

  摘要：

  我们首次报道了无环膦的“头到尾” N，N，N钳状（模仿钳状复合物）N-（嘧啶-2-基）-1,2-唑-3-羧酰胺Pd（II） ）具有去质子化酰胺基团的配合物作为高周转催化剂（TON高达10 6，TOF高达1.2×10 7 h –1）在绿色化学条件下以高达定量收率的背景进行交叉偶联反应。所描述的催化剂家族代表的潜能在工业实例中的Suzuki-Miyaura，Mizuroki-Heck和Sonogashira反应中得到了证明。可以基于容易获得的试剂通过简单的化学转化来合成相应的配体。在复杂的结构中，可以观察到非常不寻常的1,3,5,7-tetraza-2,6-dipalladocane框架。

  DOI：

  10.1021/acs.inorgchem.0c01035

文献信息

• Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists
  申请人：Failli A. Amedeo

  公开号：US20060287522A1

  公开（公告）日：2006-12-21

  This invention provides pyrrolobenzodiazepine pyridine carboxamides selected from those of Formula (1), which act as follicle stimulating hormone receptor antagonists. The invention also provides pharmaceutical compositions and methods of treatment utilizing the compounds of Formulae (1) and (2).

  这项发明提供了从式（1）中选择的吡咯苯并二氮杂吡咯烷吡啶羧酰胺，其作为卵泡刺激素受体拮抗剂。该发明还提供了利用式（1）和（2）化合物的药物组合物和治疗方法。
• 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。
• A colored dendrimer as a new soluble support in organic synthesis. Part 1: Suzuki reaction
  作者：Jidong Zhang、Jozsef Aszodi、Céline Chartier、Nathalie L'hermite、John Weston

  DOI：10.1016/s0040-4039(01)01367-3

  日期：2001.9

  A new strategy using a colored dendrimer as visible soluble support for organic synthesis has been developed. The efficiency of this new system has been demonstrated by the use of DRHMPA9–CH2OH as the support in a Suzuki coupling reaction. Due to the visibility of the support, following of the reaction has been rendered easier and the purification time of the crude product has been considerably shortened

  已经开发出一种使用有色树枝状聚合物作为有机合成的可见可溶性载体的新策略。通过使用DR HMPA 9 -CH 2 OH作为Suzuki偶联反应的载体，已证明了该新系统的效率。由于载体的可见性，反应的进行变得更加容易，并且粗产物的纯化时间也大大缩短了。
• PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS
  申请人：Wyeth

  公开号：EP1893615A1

  公开（公告）日：2008-03-05
• US7678787B2
  申请人：——

  公开号：US7678787B2

  公开（公告）日：2010-03-16