4-苄基哌啶 | 31252-42-3

• 物质功能分类: 香精与香料 - 合成香料 - 内酯和含氧杂环化合物
• 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-苄基哌啶
• 中文别名: α-(4-哌啶基)甲苯
• 英文名称: 4-benzylpyperidine
• 英文别名: 4-benzylpiperidin；4-benzylpiperidine
• CAS: 31252-42-3
• 化学式: C₁₂H₁₇N
• mdl: MFCD00006006
• 分子量: 175.274
• InChiKey: ABGXADJDTPFFSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  6-7 °C (lit.)
• 沸点：
  279 °C (lit.)
• 密度：
  0.997 g/mL at 25 °C (lit.)
• 闪点：
  >230 °F
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解，没有已知危险反应。应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 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：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933399090
• RTECS号：
  TM4728000
• 储存条件：
  请将贮藏器保持密封状态，并存放在阴凉干燥处。同时，确保工作环境具备良好的通风或排气设施。

SDS

Name:	4-Benzylpiperidine 98% Material Safety Data Sheet
Synonym:	None known
CAS:	31252-42-3

Section 1 - Chemical Product MSDS Name:4-Benzylpiperidine 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
31252-42-3	Piperidine, 4-(phenylmethyl)-	98	250-535-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. 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:

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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. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 31252-42-3: 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: Liquid
Color: clear, colorless
Odor: benzene-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 279 deg C @ 760.00mm Hg
Freezing/Melting Point: 6.00 - 7.00 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9970g/cm3
Molecular Formula: C12H17N
Molecular Weight: 175.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 31252-42-3: TM4728000 LD50/LC50:
Not available.
Carcinogenicity:
Piperidine, 4-(phenylmethyl)- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
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: Not available.
Risk Phrases:
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# 31252-42-3: 2
Canada
CAS# 31252-42-3 is listed on Canada's NDSL List.
CAS# 31252-42-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 31252-42-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-苄基哌啶 在 正丁基锂 、 甲烷磺酸 、 1,3-二溴-5,5-二甲基海因 、 水 、 三乙酰氧基硼氢化钠 、 potassium carbonate 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 Sch 211803
  参考文献：
  名称：

  MUSCARINIC M2 RECEPTOR BLOCKADE TO DELAY OR PREVENT ONSET OF PROGRESSIVE MEMORY DECLINE

  摘要：

  提供了一种方法，通过向被识别为有发展为逐渐记忆力下降症状的风险的患者施用一种肌碱能M2受体阻断化合物，来延迟或预防逐渐记忆力下降的发生。

  公开号：

  US20180256559A1
• 作为产物：
  描述：

  1-[(4-甲基苯基)磺酰基]-4-苄基哌啶 在 Na/K absorbed into silica gel 、 水 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到4-苄基哌啶
  参考文献：
  名称：

  硅胶中的碱金属（M-SG）：一种用于胺脱硫的新试剂。

  摘要：

  描述了一种用于仲胺脱硫的新方法。发现吸收到纳米结构二氧化硅（M-SG）中的碱金属是用于一系列N，N-二取代磺酰胺脱硫的有用的固态试剂。M-SG试剂是室温稳定的自由流动粉末，可保留母体金属的化学反应性，从而降低了使用活性金属的危险性和相关成本。

  DOI：

  10.1021/ol8021337
• 作为试剂：
  描述：

  4-苄基哌啶 、 4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine 在 4-苄基哌啶 作用下， 生成 4-[3-(4-苯甲基哌啶-1-基)丙酰]-7-甲氧基-2,3,4,5-四氢-1,4-苯并硫氮杂卓
  参考文献：
  名称：

  1,4-benzothiazepine derivatives

  摘要：

  本发明的目的是提供具有心肌KD（动力细胞死亡）抑制作用的化合物，而不伴随心脏抑制作用。一种由以下式[I]表示的1,4-苯并噻吩衍生物：##STR1## 其中每个取代基的定义如下：R表示H或C.sub.1-C.sub.3低烷氧基；X表示O或H.sub.2；n表示1或2；R.sup.1表示H，取代苯基，其中取代基为OH或C.sub.1-C.sub.3低烷氧基，##STR2## C.sub.1-C.sub.3低烷氧基，##STR3## 其中R.sup.2表示C.sub.1-C.sub.3酰基，ph表示苯基，或其药学上可接受的盐。

  公开号：

  US05416066A1

文献信息

• LTA4H modulators and uses thereof
  申请人：Barchuk William T.

  公开号：US20080194630A1

  公开（公告）日：2008-08-14

  Leukotriene A4 hydrolase (LTA4H) inhibitors, compositions containing them, and methods of use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation.

  白三烯A4水解酶（LTA4H）抑制剂，含有它们的组合物，以及用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的方法。
• NOVEL CURCUMIN DERIVATIVE
  申请人：Sugimoto Hachiro

  公开号：US20110082295A1

  公开（公告）日：2011-04-07

  To develop a highly safe measure to treat Alzheimer's disease using a secretase-inhibiting substance, there is provided a compound represented by the following general formula (I) or a salt thereof: wherein A represents a phenyl group or the like, R 1 represents a chlorine atom, a bromine atom, or a nitro group or the like, R 2 , R 3 , R 4 , and R 5 each represent a hydrogen atom or the like, and L represents CH 2 —CH 2 or CH═CH.

  为了开发一种高度安全的措施来治疗阿尔茨海默病，提供了一种由以下一般式（I）或其盐表示的化合物： 其中A代表苯基或类似物，R1代表氯原子、溴原子或硝基团等，R2、R3、R4和R5各自代表氢原子或类似物，L代表CH2— 或CH═CH。
• [EN] SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS<br/>[FR] TÉTRAHYDROAZOLOPYRAZINES SULFONYLÉES ET LEUR UTILISATION EN TANT QUE PRODUITS MÉDICAMENTEUX
  申请人：GRUENENTHAL GMBH

  公开号：WO2010099938A1

  公开（公告）日：2010-09-10

  The present invention relates to sulfonylated tetrahydroazolopyrazines, methods for the preparation thereof, medicinal products containing these compounds and the use of substituted indole compounds for the preparation of medicinal products (Formula I).

  本发明涉及磺酰化四氢咯啉吡嗪，其制备方法，含有这些化合物的药物产品以及用于制备药物产品的取代吲哚化合物的使用（式I）。
• Synthesis and biological evaluation as AChE inhibitors of new indanones and thiaindanones related to donepezil
  作者：Ziad Omran、Thomas Cailly、Elodie Lescot、Jana Sopkova-de Oliveira Santos、Jean-Hugues Agondanou、Vincent Lisowski、Frédéric Fabis、Anne-Marie Godard、Silvia Stiebing、Guillaume Le Flem、Michel Boulouard、François Dauphin、Patrick Dallemagne、Sylvain Rault

  DOI：10.1016/j.ejmech.2005.07.009

  日期：2005.12

  Sixty-four new indanones and thiaindanones related to donepezil were synthesized and evaluated in vitro as potential AChE inhibitors. Among them, 11 derivatives were found to inhibit the enzyme in the submicromolar range; the best compound revealed its inhibitory activity with an IC50 in the same range (0.06 microM) than the reference compound, donepezil (IC50=0.02 microM).

  合成了与多奈哌齐有关的六十四种新的茚满酮和硫丹酮，并在体外评估了其作为潜在的AChE抑制剂。其中，发现了11种衍生物在亚微摩尔范围内抑制该酶。最好的化合物显示出其抑制活性，其IC50与参考化合物多奈哌齐（IC50 = 0.02 microM）处于相同范围（0.06 microM）。
• COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE
  申请人：COGNITION THERAPEUTICS, INC.

  公开号：US20170197977A9

  公开（公告）日：2017-07-13

  This invention relates to novel diarylamino compounds that bind to the sigma-2 receptor, to pharmaceutical compositions comprising such compounds, and to methods for inhibiting or restoring synapse loss in neuronal cells, modulating a membrane trafficking change in neuronal cells, and treating cognitive decline and neurodegenerative diseases and disorders therewith.

  这项发明涉及与sigma-2受体结合的新型二芳胺化合物，包括这种化合物的药物组合物，以及用于抑制或恢复神经元细胞中突触丢失，调节神经元细胞中膜运输变化，并用于治疗认知衰退和神经退行性疾病和障碍的方法。

表征谱图