4-(3-羟苯基)哌啶 | 110878-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(3-羟苯基)哌啶
• 英文名称: 4-(3-hydroxyphenyl)piperidine
• 英文别名: 3-(piperidin-4-yl)phenol；3-piperidin-4-ylphenol
• CAS: 110878-71-2
• 化学式: C₁₁H₁₅NO
• mdl: MFCD02093474
• 分子量: 177.246
• InChiKey: FINLIMGQGJZNRN-UHFFFAOYSA-N

物化性质

• 熔点：
  225°C
• 沸点：
  320.9±42.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 4-(3-Hydroxyphenyl)piperidine
Portland OR
Synonym 3-(4-piperidinyl)phenol
Chemical Formula C11H15NO
CAS Number 110878-71-2

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
4-(3-Hydroxyphenyl)piperidine 110878-71-2 --------- Not available. Not available.

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
Wash any contaminated clothing before reusing.
Inhalation If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.

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Section V. Fire and Explosion Data
Auto-Ignition Not available.
Flammability May be combustible at high temperature.
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products include toxic carbon oxides (CO,CO 2) , nitrogen oxides (NOx).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Continued on Next Page
11087 4-(3-Hydroxyphenyl)piperidine

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Section VI. Accidental Release Measures
Spill Cleanup In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
Instructions shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container
and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or
equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°C Light yellowish red crystalline powder. Not available.
Not available.
Specific Gravity
Molecular Weight 177.25 Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not available.
Melting Point Not available. Vapor Density Not available.
Not available. Volatility Not available.
Refractive Index
Critical Temperature Odor Not available.
Not available.
Not available. Not available.
Viscosity Taste

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Section X. Stability and Reactivity Data

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Routes of Exposure Eye contact. Ingestion. Inhalation.
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
4-(3-Hydroxyphenyl)piperidine

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Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(3-羟苯基)哌啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 4-(3-Trifluoromethanesulfonyloxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Integrating Fragment Assembly and Biophysical Methods in the Chemical Advancement of Small-Molecule Antagonists of IL-2:  An Approach for Inhibiting Protein−Protein Interactions

  摘要：

  Fragment assembly has shown promise for discovering small-molecule antagonists for difficult targets, including protein-protein interactions. Here, we describe a process for identifying a 60 nM inhibitor of the interleukin-2 (IL-2)/IL-2 receptor (IL-2Ralpha) interaction. By use of fragment-based approaches, a compound with millimolar affinity was evolved to a hit series with low micromolar activity, and these compounds were optimized into a lead series with nanomolar affinity. Fragment assembly was useful not only for hit identification, but also for lead optimization. Throughout the discovery process, biophysical methods and structural biology demonstrated that compounds bound reversibly to IL-2 at the IL-2 receptor binding site.

  DOI：

  10.1021/jm049967u
• 作为产物：
  描述：

  4-(3-methoxy-phenyl)-piperidine trifluoroacetate 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以15%的产率得到4-(3-羟苯基)哌啶
  参考文献：
  名称：

  Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands

  摘要：

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.068
• 作为试剂：
  描述：

  4-(3-甲氧基苯基)哌啶 在 氩 、 氢溴酸 、 乙醇 、 4-(3-羟苯基)哌啶 作用下， 以 氢溴酸 为溶剂， 反应 3.0h， 生成 4-(3-羟苯基)哌啶
  参考文献：
  名称：

  Modulators of dopamine neurotransmission

  摘要：

  提供以下式子的3-取代4-(苯基-N-烷基)-哌嗪化合物：其中R1从以下组中选择：OSO2CF3、OSO2CH3、SO2R3、COCF3、COCH3和COCH2CH3，其中R3如下定义；R2从C1-C4烷基、烯丙基、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基和4,4,4-三氟丁基中选择；R3从C1-C3烷基、CF3和N(CH3)2中选择；但是当R1为SO2R3且R3为C1-C3烷基时，R2不是CH2CH2OCH3；或其药学上可接受的盐。此外，还提供了包含上述化合物的制药组合物以及使用上述化合物治疗各种疾病的方法。

  公开号：

  US20060135531A1

文献信息

• Synthesis and Biological Evaluation of Symmetrical 2,4,6-Trisubstituted 1,3,5-Triazine Derivatives
  作者：Nobuko Mibu、Kazumi Yokomizo、Satoshi Takemura、Nami Ueki、Saki Itohara、Jianrong Zhou、Takeshi Miyata、Kunihiro Sumoto

  DOI：10.1248/cpb.c13-00308

  日期：——

  We describe the synthesis and biological evaluation of newly designed 2,4,6-trisubstituted symmetrical 1,3,5-triazine (TAZ) derivatives. Among the tested trisubstituted symmetrical TAZ derivatives, various C3- or CS-symmetrical alkoxy-amino-substituted TAZ derivatives showed significant antiviral activity against herpes simplex virus type 1 (HSV-1) and/or cytotoxic activity against Vero cells. The

  我们描述了新设计的2,4,6-三取代对称1,3,5-三嗪（TAZ）衍生物的合成和生物学评估。在测试的三取代对称TAZ衍生物中，各种C3-或CS对称的烷氧基-氨基取代的TAZ衍生物对1型单纯疱疹病毒（HSV-1）表现出显着的抗病毒活性和/或对Vero细胞具有细胞毒活性。还描述了这些对称的2,4,6-三取代TAZ衍生物的抗HSV-1活性的结构活性关系。实验结果表明，引入两个烷氧基和一个胺部分的CS对称TAZ结构似乎是抗HSV-1活性的最低要求。
• Novel 4-phenylpiperidines for the treatment of pruritic dermatoses
  申请人：——

  公开号：US20030078282A1

  公开（公告）日：2003-04-24

  Novel compounds having general formula (I), and pharmaceutically and veterinarily acceptable salts thereof wherein R 1, R 2, R 3, W, Y 1, Y 2, X, n and y are as defined above and processes for their preparation and intermediate compounds prepared therein. The novel compounds are useful for having utility in the treatment. of pruritic dermatoses including allergic dermatitis and atopy in animals and humans

  具有通用公式(I)的新化合物，以及药物和兽药可接受的盐，其中R 1、R 2、R 3、W、Y 1、Y 2、X、n和y如上所述定义，以及它们的制备过程和其中制备的中间化合物。这些新化合物在治疗包括动物和人类的瘙痒性皮肤病，包括过敏性皮炎和异位症方面具有用途。
• [EN] PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS DE PIPÉRIDINE AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2015091939A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds having dual pharmacological activity towards both the sigma receptor and the mu-opioid receptor, and more particularly to piperidine compounds having this pharmacological activity, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及具有对σ受体和μ-阿片受体双重药理活性的化合物，更特别地涉及具有这种药理活性的哌啶化合物，涉及制备这种化合物的方法，包括它们的药物组合物，以及它们在治疗中的使用，特别是用于疼痛治疗。
• Compounds for treating spinal muscular atrophy
  申请人：PTC Therapeutics Inc.

  公开号：US09617268B2

  公开（公告）日：2017-04-11

  Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy. In a specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN2 into mRNA that is transcribed from the SMN2 gene. In another specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 into mRNA that is transcribed from the SMN1 gene. In yet another embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 and SMN2 into mRNA that is transcribed from the SMN1 and SMN2 genes, respectively.

  本文提供了用于治疗脊髓性肌萎缩症的化合物、其组合物和使用方法。在一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN2基因转录的mRNA中SMN2的外显子7的包含。在另一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN1基因转录的mRNA中SMN1的外显子7的包含。在另一个实施例中，本文提供了一种形式的化合物，可用于调节从SMN1和SMN2基因分别转录的mRNA中SMN1和SMN2的外显子7的包含。
• Receptor Antagonists
  申请人：——

  公开号：US20040110826A1

  公开（公告）日：2004-06-10

  The present invention provides an &agr; 2c -adrenoceptor antagonist comprising, as an active ingredient, a condensed-ring-pyrimidine derivative represented by general formula (I) below or a pharmaceutically acceptable salt thereof useful for treating and/or preventing various diseases induced by hyperactivity of &agr; 2c -adrenoceptor (for example, Parkinson's disease, L-DOPA-induced dyskinesia, tardive dyskinesia and depression) and the like. 1 {wherein p represents an integer of 1 to 3; R 1 represents a substituted or unsubstituted heterocyclic group, substituted or unsubstituted aryl, or the like; R 2 represents —N(—R 4 )(—R 5 ) (wherein R 4 and R 5 are the same or different, and each represents a hydrogen atom, substituted or unsubstituted aralkyl, or the like, or R 4 and R 5 form a substituted or unsubstituted heterocyclic group together with the adjacent nitrogen atom) or the like; and -Q- represents —N═C(—R 7 )— [wherein R 7 represents —N(—R 9 )(—R 10 ) (wherein R 9 and R 10 are the same or different, and each represents substituted or unsubstituted aralkyl, or the like, or R 9 and R 10 form a substituted or unsubstituted heterocyclic group together with the adjacent nitrogen atom) or the like] or the like}

  本发明提供一种α2c-肾上腺素受体拮抗剂，其包括以下通式（I）所代表的紧缩环嘧啶衍生物或其药学上可接受的盐作为活性成分，用于治疗和/或预防由α2c-肾上腺素受体过度活跃引起的各种疾病（例如帕金森病、L-多巴诱导的运动障碍、迟发性运动障碍和抑郁症）等。 其中，p表示1到3的整数； R1代表取代或未取代的杂环基团、取代或未取代的芳基等； R2代表—N(—R4)(—R5)（其中R4和R5相同或不同，每个代表氢原子、取代或未取代的芳基烷基等，或R4和R5与相邻氮原子一起形成取代或未取代的杂环基团）等；以及 -Q-代表—NHC(—R7)— [其中R7代表—N(—R9)(—R10)（其中R9和R10相同或不同，每个代表取代或未取代的芳基烷基等，或R9和R10与相邻氮原子一起形成取代或未取代的杂环基团）等]等。