2-(4-氯苯氧基)-2-甲基丙酰胺 | 5658-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-氯苯氧基)-2-甲基丙酰胺
• 英文名称: 2-(4-chlorophenoxy)-2-methylpropanamide
• 英文别名: 2-(4-clorofenossi)isobutyramide；2-(4-Chlorphenyloxy)-2-methylpropionamid；α-(4-chloro-phenoxy)-isobutyric acid amide；α-(4-Chlor-phenoxy)-isobuttersaeure-amid
• CAS: 5658-61-7
• 化学式: C₁₀H₁₂ClNO₂
• mdl: MFCD00093189
• 分子量: 213.664
• InChiKey: NWXPFHLRADFKRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2924299090

SDS

Name:	2-(4-Chlorophenoxy)-2-methylpropanamide 97% Material Safety Data Sheet
Synonym:
CAS:	5658-61-7

Section 1 - Chemical Product MSDS Name:2-(4-Chlorophenoxy)-2-methylpropanamide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5658-61-7	2-(4-Chlorophenoxy)-2-methylpropanamid	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:
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.
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# 5658-61-7: 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 126 - 129 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: C10H12ClNO2
Molecular Weight: 214

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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, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5658-61-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Chlorophenoxy)-2-methylpropanamide - 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# 5658-61-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5658-61-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5658-61-7 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-甲基丙酰胺 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以5%的产率得到对氯苯胺
  参考文献：
  名称：

  Metal-free C–N bond-forming reaction: straightforward synthesis of anilines, through cleavage of aryl C–O bond and amide C–N bond

  摘要：

  An efficient metal-free C-N bond forming reaction through cleavage of aryl C-O bond and amide C-N bond has been developed. This process represents a practical method for the facile construction of anilines with a broad substrate scope and wide functional group tolerance in moderate to excellent yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.028
• 作为产物：
  描述：

  氯贝酸 在 氨 作用下， 生成 2-(4-氯苯氧基)-2-甲基丙酰胺
  参考文献：
  名称：

  氯纤酸的酯和酰胺促进了两种类固醇的转运。

  摘要：

  合成了一系列新型的皮肤渗透促进剂，氯纤维酸的酯和酰胺。在新型增强剂存在的条件下，通过体外扩散细胞技术，用无胸腺裸鼠皮肤研究了两种类固醇（氢化可的松21-乙酸盐和倍他米松17-戊酸）在丙二醇中的渗透参数和皮肤保留。肉豆蔻酸异丙酯，二甲基月桂酰胺和1-十二烷基十二烷基环庚烷-2-酮（月桂capram，Azone）用作对照增强剂。用氯纤维酸辛基酰胺观察到酯和酰胺系列的最令人满意的增强。共同给药可使24小时后醋酸氢化可的松的皮肤保留增加3.5倍，戊酸倍他米松的皮肤保留增加2.9倍。扩散细胞受体浓度分别增加51.6倍和10.3倍，在同一时间段。但是，在这种情况下，将增强剂化合物在每种类固醇之前1小时施用于皮肤。酰胺类似物比相同碳链长度的等效酯化合物更有效。最好的增强剂化合物（2c，3d，3e和3f）在体内对无胸腺小鼠皮肤无刺激性。

  DOI：

  10.1002/jps.2600820221

文献信息

• TREATMENT FOR DISCOID LUPUS
  申请人：Magilavy Daniel

  公开号：US20120232106A1

  公开（公告）日：2012-09-13

  Compounds I and II as well as salts and pharmaceutical compositions containing them are useful for treating diseases and/or disorders of the skin, such as cutaneous lupus, for example acute cutaneous lupus erythematosus, subacute cutaneous lupus erythematosus, or discoid lupus erythematosus. In certain embodiments, the compounds are provided in topical compositions.

  I和II以及含有它们的盐和药物组合物可用于治疗皮肤疾病和/或障碍，例如皮肤红斑狼疮，例如急性皮肤红斑狼疮、亚急性皮肤红斑狼疮或盘状红斑狼疮。在某些实施例中，化合物以局部组合物形式提供。
• TREATMENT FOR VITILIGO
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20140073659A1

  公开（公告）日：2014-03-13

  Compounds I and II, as well as prodrugs, hydrates, solvates, N-oxides, salts and pharmaceutical compositions containing them, are useful for treating vitiligo. In certain embodiments, the compounds are provided in topical compositions.

  I和II化合物以及前药、水合物、溶剂化物、N-氧化物、盐和含有它们的药物组合物可用于治疗白癜风。在某些实施方式中，化合物以局部组合物的形式提供。
• Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase
  申请人：Griffin John

  公开号：US20050261354A1

  公开（公告）日：2005-11-24

  The present invention provides compositions of matter, kits and methods for their use in the treatment of MAP kinase-related conditions and/or HMG-CoA reductase-related conditions. In particular, the invention provides compositions for treating inflammatory and/or cardiovascular conditions in an animal subject by inhibiting p38α MAP kinase and/or HMG-CoA reductase, as well as providing formulations and modes of administering such compositions. The invention further provides methods for the rational design of inhibitors of MAP kinase, HMG-CoA reductase, or both for use in the practice of the present invention.

  本发明提供了物质组合物、试剂盒和它们在治疗MAP激酶相关疾病和/或HMG-CoA还原酶相关疾病中的应用的方法。具体而言，本发明提供了用于通过抑制p38α MAP激酶和/或HMG-CoA还原酶来治疗动物主体的炎症和/或心血管疾病的组合物，以及提供这些组合物的配方和给药方式。本发明还提供了用于有理设计MAP激酶、HMG-CoA还原酶或两者的抑制剂的方法，用于实施本发明。
• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES
  申请人：3 V BIOSCIENCES INC

  公开号：WO2012122391A1

  公开（公告）日：2012-09-13

  Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatits C infection, cancer and metabolic disorders.

  提供了一些脂肪酸合成调节剂。这些化合物可用于治疗由于调节脂肪酸合酶功能不当而表现出的紊乱的疾病，通过调节功能和/或脂肪酸合酶途径。提供了用于治疗此类疾病的方法，包括病毒感染，如丙型肝炎感染，癌症和代谢性疾病。
• [EN] SUBSTITUTED AMIDES<br/>[FR] AMIDES SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2003077847A2

  公开（公告）日：2003-09-25

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可作为中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和格林-巴利综合征）以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。