2-(4-氯苯氧基)-2-甲基丙酸甲酯 | 55162-41-9

• 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-(4-氯苯氧基)-2-甲基丙酸甲酯
• 英文名称: Clofibric acid methyl ester
• 英文别名: methyl 2-(4-chlorophenoxy)-2-methylpropanoate
• CAS: 55162-41-9
• 化学式: C₁₁H₁₃ClO₃
• mdl: MFCD00203861
• 分子量: 228.675
• InChiKey: UXIVINXAZVEIMC-UHFFFAOYSA-N

物化性质

• 沸点：
  158 °C
• 密度：
  1.173±0.06 g/cm3(Predicted)
• 保留指数：
  1473;1474;1472

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• WGK Germany：
  3

SDS

Name:	Methyl 2-(4-chlorophenoxy)-2-methylpropanoate 97% Material Safety Data Sheet
Synonym:
CAS:	55162-41-9

Section 1 - Chemical Product MSDS Name:Methyl 2-(4-chlorophenoxy)-2-methylpropanoate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
55162-41-9	Methyl 2-(4-chlorophenoxy)-2-methylpro	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:
Treat symptomatically and supportively.

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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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 55162-41-9: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 158 deg C @15mmHg
Freezing/Melting Point: Not available.
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: C11H13ClO3
Molecular Weight: 229

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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, acids, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 55162-41-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-(4-chlorophenoxy)-2-methylpropanoate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 55162-41-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55162-41-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55162-41-9 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：

  2-(4-氯苯氧基)-2-甲基丙酸甲酯 在 硝酸 、 三氟乙酸酐 作用下， 以 乙酸酐 为溶剂， 生成 methyl 2-(4-chloro-2-nitrophenoxy)-2-methylpropanoate
  参考文献：
  名称：

  Clewley, Robin G.; Fischer, Alfred; Henderson, George N., Canadian Journal of Chemistry, 1989, vol. 67, p. 1472 - 1479

  摘要：

  DOI：
• 作为产物：
  描述：

  氯贝酸 在 吡啶 、 甲醇 、 氯化亚砜 、 氯仿 、 苯 作用下， 生成 2-(4-氯苯氧基)-2-甲基丙酸甲酯
  参考文献：
  名称：

  Julia, Bulletin de la Societe Chimique de France, 1956, p. 776,780, 781

  摘要：

  DOI：

文献信息

• Coupling of Reformatsky Reagents with Aryl Chlorides Enabled by Ylide‐Functionalized Phosphine Ligands
  作者：Zhiyong Hu、Xiao‐Jing Wei、Jens Handelmann、Ann‐Katrin Seitz、Ilja Rodstein、Viktoria H. Gessner、Lukas J. Gooßen

  DOI：10.1002/anie.202016048

  日期：2021.3.15

  organozinc reagents with aryl electrophiles using a cyclohexyl‐YPhos ligand bearing an ortho‐tolyl‐substituent in the backbone. This highly electron‐rich, bulky ligand enables the use of aryl chlorides in room temperature couplings of Reformatsky reagents. The reaction scope covers diversely functionalized arylacetic and arylpropionic acid derivatives. Aryl bromides and chlorides can be converted selectively

  芳基氯化物与Reformatsky试剂的偶联是构建α-芳基酯的理想策略，但由于各种可能的副反应带来许多挑战，到目前为止，在基质范围上已受到很大的限制。现在，通过调整内酯官能化的膦以满足Negishi联轴器的要求，克服了这一局限性。使用在主链上带有邻甲苯基取代基的环己基-YPhos配体，在钯催化的有机锌试剂与芳基亲电试剂的芳基化中达到了创纪录的活性。这种高度电子富集的庞大配体使得可以在Reformatsky试剂的室温偶联中使用芳基氯化物。反应范围包括各种官能化的芳酸和芳基丙酸衍生物。
• Silver‐Catalyzed Acyl Nitrene Transfer Reactions Involving Dioxazolones: Direct Assembly of <i>N</i> ‐Acylureas
  作者：Zheng‐Lin Yang、Xin‐Liang Xu、Xue‐Rong Chen、Zhi‐Feng Mao、Yi‐Feng Zhou

  DOI：10.1002/ejoc.202001460

  日期：2021.1.26

  The synthesis of N‐acylurea derivatives through the silver‐catalyzed coupling of readily available dioxazolones with isocyanides and water has been reported. The desired products were obtained in moderate to good yields. The reaction can be performed on gram scale. The 18O‐labelling experiment shows that water participates in this reaction. A possible reaction mechanism is proposed in which carbodiimide

  据报道，已有的二恶唑酮与异氰酸酯和水通过银催化偶合，合成了N-酰基脲衍生物。以中等至良好的产率获得所需产物。该反应可以以克为单位进行。的18 O型标记实验表明，在该反应中水参与。提出了一种可能的反应机理，其中以碳二亚胺为主要中间体。
• Continuous-Flow Synthesis of Perfluoroalkyl Ketones via Perfluoroalkylation of Esters Using HFC-23 and HFC-125 under a KHMDS–Triglyme System
  作者：Yamato Fujihira、Hiroto Iwasaki、Yuji Sumii、Hiroaki Adachi、Takumi Kagawa、Norio Shibata

  DOI：10.1246/bcsj.20220162

  日期：2022.9.15

  chemical transformation of two HFCs, viz. HFC-23 and HFC-125, based on the continuous-flow perfluoroalkylation of esters to synthesize the pharmaceutically and agrochemically vital trifluoromethyl and pentafluoroethyl ketones. The combination of a potassium base and a glyme solvent system is found to be the most effective. The proposed method is attractive for industrial use because it allows the consumption

  氢氟烃 (HFC) 广泛用作冰箱和空调中的冷却剂以及工业过程中的溶剂。然而，它们的应用受到其高全球变暖潜能值的限制。因此，迫切需要 HFC 分解和有效利用的策略。在这里，我们描述了两种 HFC 的化学转化方法，即。HFC-23 和 HFC-125，基于酯的连续流动全氟烷基化合成医药和农业化学重要的三氟甲基和五氟乙基酮。发现钾碱和甘醇二甲醚溶剂系统的组合是最有效的。所提出的方法对工业用途很有吸引力，因为它可以消耗大量的 HFC，促进高价值药用化合物的合成，
• Acetophenone compound, preparation method therefor, and application thereof in blood lipid regulation
  申请人：Shanghai Bioenergy Medicine Science & Technology Co., Ltd.

  公开号：US10800733B2

  公开（公告）日：2020-10-13

  Disclosed are a compound represented by Formula I or a pharmaceutically acceptable salt thereof, a preparation method therefor, the Formula I, and an application thereof in preparing drugs for regulating blood lipids.

  本发明公开了一种由式 I 代表的化合物或其药学上可接受的盐、其制备方法、式 I 及其在制备调节血脂药物中的应用。
• [EN] USE OF GEMIFIBROZIL AND DERIVATIVE THEREOF FOR TREATMENT AND/OR PREVENTION OF NEURODEGENERATIVE DISEASE<br/>[FR] UTILISATION DU GEMFIBROSIL ET D'UN DÉRIVÉ DE CELUI-CI POUR LE TRAITEMENT ET/OU LA PRÉVENTION D'UNE MALADIE NEURODÉGÉNÉRATIVE<br/>[ZH] 吉非罗齐及其衍生物用于治疗和/或预防神经退行性疾病的用途
  申请人：KUNMING INST ZOOLOGY CAS

  公开号：WO2020082941A1

  公开（公告）日：2020-04-30

  吉非罗齐、其药学上可接受的盐、酯、或立体异构体在制备治疗和/或预防神经退行性疾病的药物中的用途。其中所述神经退行性疾病选自阿尔茨海默病、帕金森病、亨廷顿病或肌萎缩侧索硬化症。同时还提供一种治疗和/或预防神经退行性疾病的药物组合物，其中所述药物组合物包含前述的吉非罗齐、其药学上可接受的盐、酯、或立体异构体；优选地，所述药物组合物还包含一种或多种药用载体。进一步还提供了包含吉非罗齐、其药学上可接受的盐、酯、或立体异构体的药物组合物在制备治疗和/或预防神经退行性疾病的药物中的用途。

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