4-(3-甲氧基丙氧基)苯甲醛 | 42580-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(3-甲氧基丙氧基)苯甲醛
• 英文名称: 4-(3-methoxypropoxy)benzaldehyde
• CAS: 42580-35-8
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: UAAGRUIKVGFWOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  311.2±17.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

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-Methoxypropoxy)benzaldehyde
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-Methoxypropoxy)benzaldehyde
CAS number: 42580-35-8

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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, refrigerated.
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: C11H14O3
Molecular weight: 194.2

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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-(3-甲氧基丙氧基)苯甲醛 在 sodium tetrahydroborate 、 三溴化磷 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 paraffin oil 为溶剂， 反应 24.25h， 生成 methyl 1-[4-(3-methoxypropoxy)benzyl]-5-oxo-L-prolinate
  参考文献：
  名称：

  新型光学活性 2-吡咯烷酮的合成。

  摘要：

  合成了一类新的光学活性 2-吡咯烷酮，从 S-焦谷氨酸开始，这是一种众所周知的天然手性合成子。随后的合成设计导致在 2-吡咯烷酮环的 1 和 5 位插入各种取代基，包括咪唑部分。其中一些具有两个或三个立体中心，其构型在所使用的温和条件下得以保留。新化合物还带有一个咪唑部分，与 2-吡咯烷酮模板一起，可能证明对几种生物过程至关重要。

  DOI：

  10.3390/molecules18010050
• 作为产物：
  描述：

  对羟基苯甲醛 在 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 48.0h， 生成 4-(3-甲氧基丙氧基)苯甲醛
  参考文献：
  名称：

  新型光学活性 2-吡咯烷酮的合成。

  摘要：

  合成了一类新的光学活性 2-吡咯烷酮，从 S-焦谷氨酸开始，这是一种众所周知的天然手性合成子。随后的合成设计导致在 2-吡咯烷酮环的 1 和 5 位插入各种取代基，包括咪唑部分。其中一些具有两个或三个立体中心，其构型在所使用的温和条件下得以保留。新化合物还带有一个咪唑部分，与 2-吡咯烷酮模板一起，可能证明对几种生物过程至关重要。

  DOI：

  10.3390/molecules18010050

文献信息

• [EN] PIPERIDINE-DIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PIPÉRIDINE-DIONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015140133A1

  公开（公告）日：2015-09-24

  The invention provides novel compounds having the general formula (I) and tautomers and pharmaceutically acceptable salts thereof, wherein A1, A2, A3, A4, R1, R4, R5, R6, R7 and R8 are as defined herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有通式（I）及其互变异构体和药学上可接受的盐的新化合物，其中A1、A2、A3、A4、R1、R4、R5、R6、R7和R8如本文所定义，包括这些化合物的组合物和使用这些化合物的方法。
• SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF
  申请人：AUGEREAU Jean Michel

  公开号：US20090124624A1

  公开（公告）日：2009-05-14

  The invention concerns 1-amino-phthalazine derivatives of general formula (I): Wherein A, B, L, R, R 1 , R 2 , R 3 , R 4 , R 5 and R 7 are as defined herein. The invention also concerns the preparation of said compounds and their therapeutic use.

  这项发明涉及一般式(I)的1-氨基邻苯二酮衍生物：其中A、B、L、R、R1、R2、R3、R4、R5和R7如本文所定义。该发明还涉及所述化合物的制备及其治疗用途。
• Ph2S/selectfluor-promoted deoxydifluorination of aldehydes
  作者：Guowen He、Xuan Xiao、Han-Zhou Jin、Jin-Hong Lin、Tongsheng Zhong、Xing Zheng、Ji-Chang Xiao

  DOI：10.1016/j.tet.2021.131963

  日期：2021.3

  installation of a HCF2 group is a research area that has received increasing attention, and deoxydifluorination of aldehydes have served as an attractive protocol due to the wide availability of aldehydes. Herein we describe a Ph2S/Selectfluor-promoted deoxydifluorination of aldehydes under mild conditions. Compared with previous deoxydifluorination methods, which usually use hazardous reagents such

  HCF 2组的安装是一个受到越来越多关注的研究领域，由于醛的广泛可用性，醛的脱氧二氟化已成为有吸引力的方案。本文中，我们描述了在温和条件下，Ph 2 S / Selectfluor促进的醛脱氧二氟化。与以前的脱氧二氟化方法相比，该方法通常使用诸如SF 4，DAST和Deoxo-Fluor之类的危险试剂，该协议由于安全，方便的操作以及易于使用的试剂的使用而具有很大的吸引力。
• Synthesis, Spectroscopic, In-vitro and Computational Analysis of Hydrazones as Potential Antituberculosis Agents: (Part-I)
  作者：Bapu R. Thorat、Deepa Rani、Ramesh S. Yamgar、Suraj N. Mali

  DOI：10.2174/1386207323999200325125858

  日期：2020.7.9

  be the most active compounds and showed MIC (Minimum inhibitory concentrations) values of 12.5 μg/mL. Conclusion: In the realm of development of more potent, effective, safer and less toxic antituberculosis agents; our current study would definitely help the medicinal chemists to develop potent analogues containing hydrazine motifs in them.

  背景：自过去的几十年以来，医疗保健行业面临着世界范围内耐多药（MDR-TB）和广泛耐药结核（XDR-TB）感染发展的问题。无论目前在治疗分枝杆菌感染的医疗保健方面取得何种进展，我们仍然无法控制每年新增900万例结核病新病例。 目的：我们的目标是合成一些新型的azo，然后对其进行表征，光致发光研究，体外抗分枝杆菌测试和计算机模拟ADMET。 方法：本研究通过缩合反应成功制备了一些新的衍生物。通过FTIR，NMR，UV，荧光光谱技术对所有化合物进行表征。 结果：除化合物3i外，我们所有新合成的化合物均在292.6 – 319.0 nm处显示出强电子激发，并在348 – 365 nm区域中显示出更强的发射。发现新合成的3a，3b，3f和3g是活性最高的化合物，其MIC（最小抑菌浓度）值为12.5μg/ mL。 结论：在开发更有效，更有效，更安全和毒性更小的抗结核药物方面；我们当前的研究无疑将帮助
• ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE
  申请人：Leivers Martin Robert

  公开号：US20090197880A1

  公开（公告）日：2009-08-06

  Disclosed are compounds of Formula (I), pharmaceutically acceptable salts and solvates thereof, compositions thereof, and methods for their preparation and uses for treating viral infections mediated at least in part by a virus in the Flaviviridae family of viruses.

  本发明涉及公式（I）的化合物，其药学上可接受的盐和溶剂化合物，以及其组合物的制备方法和用于治疗由黄病毒科病毒介导的至少部分病毒感染的用途。