3-(4-羰基苯基)丙酸 | 70170-91-1

• 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-(4-羰基苯基)丙酸
• 英文名称: 3-(p-formylphenoxy)propionic acid
• 英文别名: 3-(4-formylphenoxy)propanoic acid；3-(4-formyl-phenoxy)-propionic acid；3-(4-Formyl-phenoxy)-propionsaeure
• CAS: 70170-91-1
• 化学式: C₁₀H₁₀O₄
• mdl: MFCD10009898
• 分子量: 194.187
• InChiKey: NWZYOUFOQRNNIA-UHFFFAOYSA-N

物化性质

• 熔点：
  289-293 °C(lit.)
• 沸点：
  290.62°C (rough estimate)
• 密度：
  1.2534 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38

SDS

Name:	3-(4-Carboxyphenyl)propionic acid Material Safety Data Sheet
Synonym:
CAS:	70170-91-1

Section 1 - Chemical Product MSDS Name:3-(4-Carboxyphenyl)propionic acid Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
70170-91-1	3-(4-Carboxyphenyl)propionic acid		unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 70170-91-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 288 - 291 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10O4
Molecular Weight: 194.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 70170-91-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(4-Carboxyphenyl)propionic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 70170-91-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70170-91-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70170-91-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-(4-羰基苯基)丙酸 在 potassium trimethylsilonate 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 生成
  参考文献：
  名称：

  三甲硅烷醇酸酯催化裂解Hy的有效方法氧化芳香醛

  摘要：

  芳香醛可被有效地氧化成相应的羧酸。该方案在一锅中涉及两个反应步骤。首先，通过与苯肼反应将醛转化为，然后用三甲基硅烷醇化物处理以产生羧酸。氧化既可以在溶液中也可以在固体载体上进行。

  DOI：

  10.1002/ejoc.201601238
• 作为产物：
  描述：

  4-(3-羟基丙氧基)苯甲醛 在 N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 102.0h， 生成 3-(4-羰基苯基)丙酸
  参考文献：
  名称：

  Selective Oxoammonium Salt Oxidations of Alcohols to Aldehydes and Aldehydes to Carboxylic Acids

  摘要：

  The oxidation of alcohols to aldehydes using stoichiometric 4-acetamido-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate (1) in CH2Cl2 at room temperature Is a highly selective process favoring reaction at the carbinol center best able to accommodate a positive charge. The oxidation of aldehydes to carboxylic acids by 1 In wet acetonitrile Is also selective; the rate of the process correlates with the concentration of aldehyde hydrate. A convenient and high yield method for oxidation of alcohols directly to carboxylic acids has been developed.

  DOI：

  10.1021/ol203096f

文献信息

• An efficient one pot syntheses of aryl-3,3′-bis(indolyl)methanes and studies on their spectral characteristics, DPPH radical scavenging-, antimicrobial-, cytotoxicity-, and antituberculosis activity
  作者：G.S. Suresh Kumar、S. Kumaresan、A. Antony Muthu Prabhu、N. Bhuvanesh、P.G. Seethalakshmi

  DOI：10.1016/j.saa.2012.09.046

  日期：2013.1

  and the methodology could be applied on a range of closely related substrates. The solvation characteristics in ground and excited states of the compounds by monitoring the absorbance and fluorescence band maxima have been studied. The fluorescence studies in protic and aprotic solvents were rationalized on the basis of solute-solvent interaction and substituents effect on these photophysical processes

  描述了由吲哚/ 2-甲基吲哚和甲酰基苯氧基脂族酸有效地一锅合成芳基-3,3'-双（吲哚基）甲烷（BIM）的方法。在碳酸钾明矾作为催化剂的存在下，同时实现了羧酸的酯化和芳族亲电取代反应。该催化剂可以被回收和再利用，而其催化活性没有实质损失，并且该方法可以应用于一系列紧密相关的底物。通过监测吸光度和最大荧光带，研究了化合物在基态和激发态的溶剂化特性。质子和非质子溶剂中的荧光研究是基于溶质-溶剂相互作用和取代基对这些分析的光物理过程的影响而合理化的。制备的化合物显示出对人类病原体的有效抗菌作用，对A431细胞系的细胞毒性和DPPH自由基清除作用。已经对这项工作中合成的一些化合物进行了单晶XRD研究。
• 一种线粒体靶向光敏剂及其制备方法和应用
  申请人：苏州大学

  公开号：CN115006527B

  公开（公告）日：2023-03-17

  本发明公开了一种线粒体靶向光敏剂，该线粒体靶向光敏剂利用三苯基膦阳离子修饰BODIPY，解决了现有光敏剂水溶性差和光稳定性差的问题。为了进一步提高其水溶性和肿瘤靶向性，本发明利用嵌段共聚物将其制备为纳米光敏胶束，用于线粒体靶向肿瘤高效光动力治疗。同时，通过离子交换形式放射性核素得到放射性标记的线粒体靶向纳米光敏胶束，实现了诊疗一体化。
• Inkjet ink and coloring composition
  申请人：Fujita Takuya

  公开号：US10655029B2

  公开（公告）日：2020-05-19

  An inkjet ink including: a stilbene-based compound represented by General Formula (1) below; where in the General Formula (1), R1 and R3 each independently represent, for example, an alkyl group including 1 to 20 carbon atoms, an alkenyl group including 1 to 20 carbon atoms, a phenyl group, or a naphthyl group.

  一种喷墨墨水，包括： 下文通式 (1) 所代表的苯乙烯基化合物； 在通式（1）中，R1 和 R3 各自独立地代表例如包括 1 至 20 个碳原子的烷基、包括 1 至 20 个碳原子的烯基、苯基或萘基。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Shunmugadhas, Ganesan; Kumar, Suresh; Kumaresan, Sudalaiandi, Journal of Chemical Sciences, 2012, vol. 124, # 4, p. 857 - 863,7
  作者：Shunmugadhas, Ganesan、Kumar, Suresh、Kumaresan, Sudalaiandi

  DOI：——

  日期：——