4’-甲氧基联苯-4-甲醛 | 52988-34-8

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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’-甲氧基联苯-4-甲醛
• 中文别名: 4'-甲氧基-[1,1'-联苯]-4-甲醛；4'-甲氧基联苯-4-甲醛
• 英文名称: 4-(4'-methoxyphenyl)benzaldehyde
• 英文别名: 4'-methoxy[1,1'-biphenyl]-4-carbaldehyde；4'-methoxybiphenyl-4-carbaldehyde；4′-methoxy-[1,1′-biphenyl]-4-carbaldehyde；4’-methoxybiphenyl-4-carbaldehyde；4'-methoxy-4-biphenylaldehyde；4’-methoxy-[1,1’-biphenyl]-4-carbaldehyde；4'-methoxy-[1,1'-biphenyl]-4-carboxaldehyde；4-(4-Methoxyphenyl)benzaldehyde
• CAS: 52988-34-8
• 化学式: C₁₄H₁₂O₂
• 分子量: 212.248
• InChiKey: JTTIGLYPLMYHAT-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100°C
• 闪点：
  >110°(230°F)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4’-Methoxybiphenyl-4-carboxaldehyde
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’-Methoxybiphenyl-4-carboxaldehyde
Ingredient name:
CAS number: 52988-34-8

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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: C14H12O2
Molecular weight: 212.2

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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’-甲氧基联苯-4-甲醛 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以72%的产率得到4’-羟基(1,1’-联苯)-4-甲醛
  参考文献：
  名称：

  [EN] INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME
  [FR] INHIBITEURS DU COMPLEXE D'ACTIVATION DE TRANSCRIPTION DU RÉCEPTEUR NOTCH ET PROCÉDÉS D'UTILISATION DE CES DERNIERS

  摘要：

  本文披露了Notch转录激活复合物的抑制剂，以及它们在治疗或预防疾病（如癌症）中的使用方法。本文描述的抑制剂可以包括式（I）的化合物及其药用可接受盐：式（I），其中取代基如所述。

  公开号：

  WO2016154255A1
• 作为产物：
  描述：

  4-甲氧基-4’-氰基联苯 在 二异丁基氢化铝 、 盐酸 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以82%的产率得到4’-甲氧基联苯-4-甲醛
  参考文献：
  名称：

  [EN] BIPHENYLOXY-ACIDS
  [FR] ACIDES BIPHENYLOXY

  摘要：

  本发明一般涉及取代联苯氧基酸（例如4'-芳基酰胺基联苯基-4(3)-氧基酸和4’-芳基酰胺基甲基联苯基-4(3)-氧基酸）及其使用方法。

  公开号：

  WO2005030702A1

文献信息

• A highly active catalytic system for Suzuki–Miyaura cross-coupling reactions of aryl and heteroaryl chlorides in water
  作者：Shu-Lan Mao、Yue Sun、Guang-Ao Yu、Cui Zhao、Zhi-Jun Han、Jia Yuan、Xiaolei Zhu、Qihua Yang、Sheng-Hua Liu

  DOI：10.1039/c2ob26463c

  日期：——

  An easily available Pd(OAc)2/(2-mesitylindenyl)dicyclohexylphosphine/Me(octyl)3N+Cl−/K3PO4·3H2O catalytic system was developed and it shows high catalytic activity in the Suzuki–Miyaura cross-coupling reaction of a diverse array of aryl and heteroaryl chlorides in water. Notably, this catalytic system also works with ultra-low loading of the catalyst with high turnover numbers.

  容易获得的Pd（OAc）2 /（2-异丁烯基）二环己基膦/ Me的（辛基）3 Ñ +氯- / K 3 PO 4 ·3H 2 ö催化体系被开发，它示出了在芳基和杂芳基氯化物的多样性阵列的Suzuki-Miyaura交叉偶联反应的高催化活性水。值得注意的是，该催化系统还可以在超低负荷下以高周转数运行。
• Catalyst for aromatic C—O, C—N, and C—C bond formation
  申请人：Yale University

  公开号：US06562989B2

  公开（公告）日：2003-05-13

  The present invention is directed to a transition metal catalyst, comprising a Group 8 metal and a ligand having the structure wherein R, R′ and R″ are organic groups having 1-15 carbon atoms, n=1-5, and m=0-4. The present invention is also directed to a method of forming a compound having an aromatic or vinylic carbon-oxygen, carbon-nitrogen, or carbon-carbon bond using the above catalyst. The catalyst and the method of using the catalyst are advantageous in preparation of compounds under mild conditions of approximately room temperature and pressure.

  本发明涉及一种过渡金属催化剂，包括一种第8族金属和具有结构的配体 其中R、R'和R"是具有1-15个碳原子的有机基团，n=1-5，m=0-4。本发明还涉及一种利用上述催化剂形成具有芳香性或乙烯基碳-氧、碳-氮或碳-碳键的化合物的方法。该催化剂和使用该催化剂的方法在大约室温和压力下的温和条件下制备化合物具有优势。
• [EN] AGONISTS OF GPR40<br/>[FR] AGONISTES DE GPR40
  申请人：CONNEXIOS LIFE SCIENCES PVT LTD

  公开号：WO2012011125A1

  公开（公告）日：2012-01-26

  The present invention relates to compounds that have the ability to modulate the activity of GPR40 and are therefore useful in the treatment of GPR40 related disorders. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders related to GPR40 activity.

  本发明涉及具有调节GPR40活性能力的化合物，因此在治疗与GPR40相关的疾病方面具有用处。此外，该发明涉及这些化合物、其制备方法、含有这些化合物的药物组合物以及在治疗与GPR40活性相关的某些疾病方面使用这些化合物的用途。
• Functionalization of <i>N</i>,<i>N</i>-Dialkylferrocenesulfonamides toward Substituted Derivatives
  作者：Min Wen、William Erb、Florence Mongin、Yury S. Halauko、Oleg A. Ivashkevich、Vadim E. Matulis、Thierry Roisnel、Vincent Dorcet

  DOI：10.1021/acs.organomet.1c00091

  日期：2021.4.26

  interest of introducing ferrocene into drugs, ferrocene sulfonamides have scarcely been studied. General synthetic methods using lithium bases to perform sulfonamide-directed deprotolithiation or the “halogen dance” reaction are here reported for the functionalization of N,N-dialkylferrocenesulfonamides toward various polysubstituted derivatives. Postfunctionalization of the ferrocenyl iodides by cross-coupling

  尽管芳族磺酰胺具有公认的药理特性，并且有兴趣将二茂铁引入药物，但很少研究二茂铁磺酰胺。本文报道了使用锂碱进行磺酰胺定向的去原锂化或“卤素舞”反应的一般合成方法，用于将N，N-二烷基二茂铁磺酰胺向各种多取代的衍生物官能化。还考虑了通过交叉偶联和锂/碘交换反应对二茂铁碘化物的后官能化。最后，研究了新的二茂铁膦在钯催化的偶联反应中的配体行为，并根据DFT计算来观察反应结果。
• [EN] AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS<br/>[FR] AZABENZAMIDAZOLES COMME INHIBITEURS D'ACIDE GRAS SYNTHASE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011066211A1

  公开（公告）日：2011-06-03

  This invention relates to the use of azabenzimidazole derivatives for the modulation, notably the inhibition of the activity or function of fatty acid synthase (FAS). Suitably, the present invention relates to the use of azabenzimidazoles in the treatment of cancer.

  这项发明涉及使用吡唑苯并咪唑衍生物来调节，特别是抑制脂肪酸合成酶（FAS）的活性或功能。适当地，本发明涉及在癌症治疗中使用吡唑苯并咪唑。

表征谱图