对甲氧基苯氧乙酸 | 1877-75-4

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香酸
• 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: 对甲氧基苯氧乙酸
• 中文别名: 4-甲氧基苯氧基乙酸；4-甲氧基苯氧乙酸
• 英文名称: 2-(4-methoxyphenoxy)acetic acid
• 英文别名: 4-methoxyphenoxyacetic acid；p-methoxy phenoxyacetic acid
• CAS: 1877-75-4
• 化学式: C₉H₁₀O₄
• mdl: MFCD00014360
• 分子量: 182.176
• InChiKey: BHFSBJHPPFJCOS-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114 °C
• 沸点：
  275.56°C (rough estimate)
• 密度：
  1.2481 (rough estimate)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，不存在已知的危险反应，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R44,R36/37/38
• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  请将贮藏器密封，并存放在阴凉、干燥处。同时，确保工作环境有良好的通风或排气设施。

SDS

Name:	4-Methoxyphenoxyacetic Acid Material Safety Data Sheet
Synonym:	None known.
CAS:	1877-75-4

Section 1 - Chemical Product MSDS Name: 4-Methoxyphenoxyacetic Acid Material Safety Data Sheet
Synonym: None known.

---

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1877-75-4	4-Methoxyphenoxyacetic Acid	ca 100	217-513-2

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

---

SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

---

SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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.

---

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

---

SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 1877-75-4: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Needles
Color: almost colorless
Odor: acetic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 152 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C9H10O4
Molecular Weight: 182.0676

---

SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1877-75-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxyphenoxyacetic Acid - Not listed by ACGIH, IARC, or NTP.

---

SECTION 12 - ECOLOGICAL INFORMATION

---

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

---

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.

---

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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 1877-75-4: No information available. Canada CAS# 1877-75-4 is listed on Canada's NDSL List. CAS# 1877-75-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1877-75-4 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 4/05/1997 Revision #5 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  对甲氧基苯氧乙酸 在 potassium carbonate 作用下， 反应 0.13h， 生成 N-[5-[5-(2-chlorophenyl)furan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
  参考文献：
  名称：

  微波辐射下无溶剂合成 2-Furyl-5-aryloxyacetylamido-1,3,4-thiadiazoles

  摘要：

  摘要 描述了一种在微波辐射下制备 2-呋喃基-5-芳氧基乙酰氨基-1,3,4-噻二唑的实用无溶剂方法。

  DOI：

  10.1081/scc-120022179
• 作为产物：
  描述：

  2-(4-甲氧基苯氧基)丙酸 在 2,6-二甲基吡啶 、 sodium hydroxide 、 lithium perchlorate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成 对甲氧基苯氧乙酸
  参考文献：
  名称：

  α-（甲氧基苯氧基）链烷酸的电化学诱导螺内酯化成醌缩酮。

  摘要：

  在分析和制备规模上研究了两个系列的α-（2）-和α-（4-甲氧基苯氧基）链烷酸的阳极氧化，以描绘电化学诱导的螺内酯化的机理，并开发出可用于合成的邻醌双-和-单缩酮。尽管α-单甲基化的羧酸和乙酸衍生物没有任何螺环化，但是α-二甲基化的羧酸以高产率提供了螺内酯。调用宝石二甲基效应来解释环化能力的这些差异。可以选择电氧化条件以提供醌螺内酯双缩酮或单缩酮。双缩酮的化学选择性单水解也可以逐步完成，以提供相应的螺内酯单缩酮，但不幸的是，邻位化合物通过Diels-Alder工艺原位二聚。在循环伏安分析的基础上，提出了ECEC途径以合理化所观察到的螺内酰胺化。

  DOI：

  10.1021/jo020023r

文献信息

• [EN] PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PRMT5 CONTENANT UNE DIHYDRO- OU TÉTRAHYDRO-ISOQUINOLÉINE ET LEURS UTILISATIONS
  申请人：EPIZYME INC

  公开号：WO2014100730A1

  公开（公告）日：2014-06-26

  Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5- mediated disorders are also described.

  本文描述了式（A）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。
• PRMT5 INHIBITORS AND USES THEREOF
  申请人：Duncan Kenneth W.

  公开号：US20190083482A1

  公开（公告）日：2019-03-21

  Described herein are compounds of Formula (I), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

  本文描述了式（I）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。
• Synthesis and cytotoxicity of novel 20-<i>O</i>-linked homocamptothecin ester derivatives as potent topoisomerase I inhibitors
  作者：Di-Zao Li、Cun-Ying Wang、Rui-Hua Liu、Yan-Ming Wang、Teng-Fei Ji、Yu-Rong Li、Xian-Dao Pan

  DOI：10.1080/10286020.2013.855203

  日期：2013.11.1

  attempt to improve the antitumor activity of homocamptothecins (hCPTs), a series of novel 20-O-linked hCPT ester derivatives were first designed and synthesized based on a synthetic route, by which hCPTs are acylated with different substituted phenoxyacetic acid ester derivatives. Most of the derivatives were assayed for in vitro cytotoxicity against six human cancer cell lines KB, KB/VCR, A549, HCT-8, Bel7402

  为了改善高喜树碱（hCPT）的抗肿瘤活性，首先基于合成路线设计和合成了一系列新颖的20- O-连接的hCPT酯衍生物，通过该合成路线，hCPT被不同的取代的苯氧基乙酸酯衍生物酰化。对大多数衍生物进行了针对六种人类癌细胞系KB，KB / VCR，A549，HCT-8，Bel7402和A2780的体外细胞毒性测定，并且大多数测定的化合物对这些肿瘤细胞系表现出良好的抗增殖活性，尤其是对KB
• Camptothecin derivatives
  申请人：California Pacific Medical Center

  公开号：US06350756B1

  公开（公告）日：2002-02-26

  (20S) esters of camptothecin analogs are provided. The compounds are (20S) esters of an oxyalkanoic acid and camptothecin, which is optionally substituted at the 7, 9, 10, 11, and 12 positions of the camptothecin ring. The compounds are useful for treating cancer.

  紫杉醇类似物的(20S)酯类化合物已提供。这些化合物是紫杉醇和氧烷羧酸的(20S)酯类，紫杉醇在7、9、10、11和12位的环上可选择性地被取代。这些化合物可用于治疗癌症。
• Synthesis and in-vitro antimicrobial activity of new 1,2,4-triazoles
  作者：A R Bhat、G Varadaraj Bhat、G Gautham Shenoy

  DOI：10.1211/0022357011775307

  日期：2010.2.18

  described the synthesis of new 1,2,4-triazoles and have evaluated their antimicrobial profile. Antitubercular activity was determined in triplicate using the Lowenstein-Jensen medium. A loopful of Mycobacterium tuberculosis suspension was inoculated on the surface of each Lowenstein-Jensen media containing the test compounds (100, 10 or 1 microg mL(-1)). To evaluate in-vitro antibacterial activity, compounds

  我们已经描述了新的1,2,4-三唑的合成，并评估了它们的抗菌特性。使用Lowenstein-Jensen培养基一式三份确定抗结核活性。在含有测试化合物（100、10或1微克mL（-1））的每种Lowenstein-Jensen培养基的表面上接种一圈结核分枝杆菌悬液。为了评估体外抗菌活性，通过圆盘扩散法对枯草芽孢杆菌，大肠杆菌，铜绿假单胞菌，金黄色葡萄球菌和伤寒葡萄球菌评估了化合物（50、5或0.5微克）。为了评估抗真菌活性，使用了Sabourauds葡萄糖琼脂培养基。筛选了某些化合物（5、0.5或0.05微克mL（-1））的抗黑曲霉88和黑曲霉90的活性，而其他化合物则抗T的活性。使用杯板法将红花TR1，红花R.R6，红花R7和薄荷茶T. 我们的结果表明，与在分子4位具有吡嗪部分的三唑相比，在3位具有吡嗪部分的三唑作为抗结核剂和抗真菌剂更具活性。

表征谱图