4-间甲苯氧基哌啶 | 63843-46-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-间甲苯氧基哌啶
• 中文别名: 4-(3-甲基苯氧基)哌啶；4-邻甲苯基哌啶
• 英文名称: 4-(3-methylphenoxy)piperidine
• 英文别名: 4-(3-Tolyloxy)-piperidin；4-(m-tolyloxy)piperidine
• CAS: 63843-46-9
• 化学式: C₁₂H₁₇NO
• mdl: MFCD06248345
• 分子量: 191.273
• InChiKey: RTSXWJCYCFVWBU-UHFFFAOYSA-N

物化性质

• 熔点：
  190-191℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Name:	4-(3-Methylphenoxy)Piperidine Hydrochloride Salt Material Safety Data Sheet
Synonym:	None Known
CAS:	63843-46-9

Section 1 - Chemical Product MSDS Name:4-(3-Methylphenoxy)Piperidine Hydrochloride Salt Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
63843-46-9	4-(3-Methylphenoxy)Piperidine Hydrochl	ca. 100	unlisted

Hazard Symbols: T
Risk Phrases: 23/24/25 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
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. Toxic in contact with skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Toxic if swallowed.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Toxic if inhaled.
Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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 immediately. Immediately 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 immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale.
Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 63843-46-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C12H17NOHCl
Molecular Weight: 227.7

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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:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 63843-46-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(3-Methylphenoxy)Piperidine Hydrochloride Salt, Free Base - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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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: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 63843-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63843-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63843-46-9 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：

  4-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile 、 4-间甲苯氧基哌啶 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 以14%的产率得到1-methyl-4-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxo-1,2-dihydroquinoline-3-carbonitrile
  参考文献：
  名称：

  [EN] SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION
  [FR] AMINOQUINOLONES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE DGKALPHA POUR ACTIVATION IMMUNITAIRE

  摘要：

  本发明涵盖了一般式(I)的氨基喹啉化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、X和n如此处所定义，制备所述化合物的方法，制备所述化合物有用的中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗和/或预防疾病的药物组合物，特别是对二酰基甘油激酶α调节性疾病的治疗，作为单一药剂或与其他活性成分组合使用。

  公开号：

  WO2021105115A1
• 作为产物：
  描述：

  1-Benzyl-4-m-tolyloxy-piperidine 以 乙醇 为溶剂， 生成 4-间甲苯氧基哌啶
  参考文献：
  名称：

  Method of treating pain and hypertension

  摘要：

  本文描述了具有降压、镇痛和镇静作用的3- [2-（苯氧基环氧丙基）乙基]吲哚化合物及其制备方法。

  公开号：

  US04031221A1

文献信息

• [EN] SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] DÉRIVÉS SUBSTITUÉS DE 2, 4-DIAMINO-QUINOLÉINE POUR LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES PROLIFÉRATIVES
  申请人：GENOSCIENCE PHARMA

  公开号：WO2017191599A1

  公开（公告）日：2017-11-09

  This application discloses compounds according to generic Formula (I): wherein all variables are defined as described herein which exhibit strong inhibition effects on various cancer cell lines. The compounds disclosed herein are useful for the treatment of proliferative diseases, including neoplastic diseases such as cancer and non- neoplastic disorders such as rheumatoid arthritis. Also disclosed are pharmaceutical compositions containing compounds of Formula (I) and at least one carrier, diluent or excipient and optionally one or more additional therapeutically active agents, including anticancer agents. This application also discloses methods for treating a proliferative disease, including neoplastic diseases such as cancer and non- neoplastic disorders such as rheumatoid arthritis.

  本申请披露了根据通用式（I）定义的化合物，其中所有变量如本文所述，这些化合物对各种癌细胞系表现出强烈的抑制作用。本文披露的化合物对于治疗增生性疾病非常有用，包括肿瘤性疾病如癌症和非肿瘤性疾病如类风湿性关节炎。还披露了含有通用式（I）化合物和至少一种载体、稀释剂或赋形剂以及可选的一种或多种其他治疗活性剂的药物组合物。本申请还披露了治疗增生性疾病的方法，包括肿瘤性疾病如癌症和非肿瘤性疾病如类风湿性关节炎的方法。
• [EN] ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ISOINDOLINONE ET ANALOGUES APPARENTÉS COMME MODULATEURS DE SIRTUINE
  申请人：SIRTRIS PHARMACEUTICALS INC

  公开号：WO2010077686A1

  公开（公告）日：2010-07-08

  Provided herein are novel sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin- modulating compound in combination with another therapeutic agent.

  本文提供了新颖的调节sirtuin的化合物及其使用方法。这些调节sirtuin的化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和紊乱，包括与老化或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症、潮红以及那些会受益于增加线粒体活性的疾病或紊乱。还提供了含有sirtuin调节化合物与另一治疗剂结合的组合物。
• 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF
  申请人：NAGATO Satoshi

  公开号：US20090275751A1

  公开（公告）日：2009-11-05

  The present invention provides a novel compound having an excellent AMPA receptor inhibitory action and/or kainate inhibitory action. A compound represented by the following formula, a salt thereof or hydrates thereof. In the formula, Q indicates NH, O or S; and R 1 , R 2 , R 3 , R 4 and R 5 are the same as or different from each other and each indicates hydrogen atom, a halogen atom, a C 1-6 alkyl group or a group represented by the formula —X-A (wherein X indicates a single bond, an optionally substituted C 1-6 alkylene group etc.; and A indicates an optionally substituted C 6-14 aromatic hydrocarbocyclic group or 5- to 14-membered aromatic heterocyclic group etc.).

  本发明提供了一种新型化合物，具有优异的AMPA受体抑制作用和/或kainate抑制作用。该化合物的化学式如下，其盐或水合物：在该式中，Q表示NH、O或S；R1、R2、R3、R4和R5相同或不同，且每个表示氢原子、卤素原子、C1-6烷基或由式—X-A表示的基团（其中X表示单键、可选地取代的C1-6烷基等；A表示可选地取代的C6-14芳香烃环基或5-至14元杂环芳香族基等）。
• PYRIMIDODIAZEPINONE DERIVATIVE
  申请人：Otsubo Nobumasa

  公开号：US20100190775A1

  公开（公告）日：2010-07-29

  The invention provides a pyrimidodiazepinone derivative represented by the general formula (I) [wherein n represents 1 or 2, Z represents a hydrogen atom or the like, R 1 and R 2 may be the same or different, and each represents a hydrogen atom or the like, A represents a bond, (CH 2 ) m (wherein m represents an integer of 1 to 4), optionally substituted phenylene, optionally substituted pyridinediyl, or C═O, R 3 represents a hydrogen atom, optionally substituted lower alkyl, or the like, and R 4 represents a hydrogen atom or the like], or a pharmaceutically acceptable salt thereof or the like.

  该发明提供了一种由通式(I)表示的嘧啶二氮杂环酮衍生物[其中n代表1或2，Z代表氢原子或类似物，R1和R2可以相同或不同，每个代表氢原子或类似物，A代表键合，(CH2)m(其中m代表1到4的整数)、可选取代的苯基、可选取代的吡啶二基、或C═O，R3代表氢原子、可选取代的较低烷基或类似物，R4代表氢原子或类似物]，或其药学上可接受的盐或类似物。
• ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS
  申请人：Vu Chi B.

  公开号：US20110319411A1

  公开（公告）日：2011-12-29

  Provided herein are novel sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了新型的调节sirtuin的化合物及其使用方法。这些sirtuin调节化合物可用于延长细胞寿命，以及治疗和/或预防各种疾病和疾病，包括与衰老或压力有关的疾病或疾病，糖尿病，肥胖症，神经退行性疾病，心血管疾病，血液凝块病，炎症，癌症和/或潮红，以及需要增加线粒体活性的疾病或疾病。还提供了包含sirtuin调节化合物与另一种治疗剂的组合物。