6-哌啶酮烟酸甲酯 | 132521-82-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-哌啶酮烟酸甲酯
• 英文名称: Methyl 6-piperidinonicotinate
• 英文别名: methyl 6-piperidin-1-ylpyridine-3-carboxylate
• CAS: 132521-82-5
• 化学式: C₁₂H₁₆N₂O₂
• 分子量: 220.271
• InChiKey: UJSPHYCMAZIKQD-UHFFFAOYSA-N

物化性质

• 熔点：
  70 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Name:	Methyl 6-piperidinonicotinate Material Safety Data Sheet
Synonym:	None Known
CAS:	132521-82-5

Section 1 - Chemical Product MSDS Name:Methyl 6-piperidinonicotinate Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
132521-82-5	Methyl 6-piperidinonicotinate	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. May cause chemical conjunctivitis.
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:
No information found.

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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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 132521-82-5: 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:
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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70.50-71.50 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: C12H16N2O2
Molecular Weight: 220.27

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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:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 132521-82-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 6-piperidinonicotinate - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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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 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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# 132521-82-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 132521-82-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 132521-82-5 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：

  6-哌啶酮烟酸甲酯 、 乙醇 、 四氢呋喃 、 一水合肼 在 水 作用下， 以 水 为溶剂， 反应 6.33h， 以to give 6-(1-piperidyl)nicotinoylhydrazine (3.44 g)的产率得到6-(1-Piperidyl)nicotinoylhydrazine
  参考文献：
  名称：

  Cyclic hexapeptides with antimicrobial activity

  摘要：

  本发明涉及新的多肽化合物，其通式表示为（I），其中R1、R2、R3和R4如描述中所定义，或其盐，具有抗微生物活性（特别是抗真菌活性），对β-1,3-葡聚糖合酶的抑制活性，以及其制备方法、包括该化合物的制药组合物，以及用于治疗和/或预防包括人类或动物的肺孢子菌感染（例如肺孢子菌性肺炎）的传染病的方法。

  公开号：

  US06232290B1
• 作为产物：
  描述：

  C₁₃H₁₈N₂O₂ 在 氧气 、 苊烯 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 6-哌啶酮烟酸甲酯
  参考文献：
  名称：

  芳基叠氮化物转化为氨基吡啶

  摘要：

  基本官能团相互转化的长期挑战是通过氮插入和碳缺失将苯直接转化为吡啶。在这里，我们报告了一种使用蓝光和氧气将芳基叠氮化物转化为 2-氨基吡啶的方案，该方案很容易从相应的苯胺中获得。机理研究证实，芳烃向吡啶的转化是通过将氮插入苯环，然后进行氧化碳挤出来实现的。

  DOI：

  10.1021/jacs.2c08464

文献信息

• SELECTIVE HDAC1,2 INHIBITORS
  申请人：Regenacy Pharmaceuticals, LLC

  公开号：US20180141923A1

  公开（公告）日：2018-05-24

  Provided herein are compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat diseases or disorders associated with HDAC1 and/or HDAC2 activity.

  本文提供了化合物、含有这些化合物的药物组合物，以及使用这些化合物治疗与HDAC1和/或HDAC2活性相关的疾病或障碍的方法。
• Chemo-selective syntheses of <i>N-t</i>-boc-protected amino ester analogs through Buchwald–Hartwig amination
  作者：Sujit Suwal、Mahmuda Rahman、Gregory O’Brien、Victoire G. Karambizi、Matthew Wrotny、M. Scott Goodman

  DOI：10.1039/d1nj05596h

  日期：——

  The synthesis of N-protected amino esters is achieved via a chemo-selective Buchwald Hartwig cross-coupling reaction using PEPPSI-IPr Pd-catalyst. Nearly two dozen functionally and structurally diverse amino ester molecules are created by individually cross-coupling eight aryl halo esters and three different secondary amines. We observed that product formation is more facile in those heterocyclic esters

  N-保护氨基酯的合成是通过使用 PEPPSI-IPr Pd 催化剂的化学选择性 Buchwald Hartwig 交叉偶联反应实现的。通过分别交叉偶联八种芳基卤代酯和三种不同的仲胺，产生了近两打功能和结构不同的氨基酯分子。我们观察到，在杂芳环中的卤素取代基邻位存在氮的那些杂环酯中，产物的形成更容易。基于这一观察，我们提出了交叉偶联循环中可能的中间步骤，其中杂环中的氮电子孤对可能发挥重要作用，导致更高的反应产率。
• Site-Selective C–H Functionalization of <i>N</i>-Aryl and <i>N</i>-Heteroaryl Piperidines, Morpholines, and Piperazines Controlled by a Chiral Dirhodium Tetracarboxylate Catalyst
  作者：Korkit Korvorapun、Yannick T. Boni、Thomas C. Maier、Armin Bauer、Thomas Licher、John E. Macor、Volker Derdau、Huw M. L. Davies

  DOI：10.1021/acscatal.2c05283

  日期：2023.2.17

  Rhodium-catalyzed C–H insertion by donor/acceptor carbenes is a useful transformation in organic synthesis. However, the site-selectivity of the C–H transformation on the target molecule is often a major issue. Site-selective C–H functionalizations of challenging substrates like N-aryl- and N-heteroaryl piperidines could be achieved through chiral rhodium carbene intermediates, leading to the formation

  由供体/受体卡宾进行的铑催化的 C-H 插入是有机合成中的一种有用转化。然而，目标分子上 C-H 转化的位点选择性通常是一个主要问题。通过手性铑卡宾中间体，可以实现N -芳基和N -杂芳基哌啶等具有挑战性的底物的位点选择性 C-H 功能化，从而形成高度立体选择性的 C-2 产物。此外，N-芳基吗啉和哌嗪在α位选择性地与N-芳基反应。
• Nicotinic acid derivatives and pharmaceutical compositions comprising same
  申请人：NISSHIN FLOUR MILLING CO., LTD.

  公开号：EP0385351A1

  公开（公告）日：1990-09-05

  Compounds are disclosed of the formula wherein R1 is hydrogen or C1-C6 alkyl; Y is -CH2-, -O-, R2 is C1-C6 alkyl; C2-C6 alkenyl; C3-C6 cycloalkyl; phenyl which may be mono- or di-substituted on the phenyl ring with C1-C6 alkoxy; aralkyl which may be mono- or di-substituted on the aromatic ring with C1-C6 alkoxy; diphenylmethyl; carboalkoxy; or an O- or N-heterocyclic radical which is linked to the nitrogen atom via carbonyl or carbonylmethylene; m is 2 or 3; and n is 0 or 1, and physiologically acceptable acid addition salts thereof. The compounds of formula (I) are of a blood flow-increasing action and can be used for the therapy or prevention of diseases in the cardiovascular system.

  所公开的化合物式如下 其中 R1 是氢或 C1-C6 烷基； Y 是-CH2-、-O-、 R2是C1-C6烷基；C2-C6烯基；C3-C6环烷基；苯基，可在苯基环上用C1-C6烷氧基单取代或二取代；芳香环上用C1-C6烷氧基单取代或二取代的芳基；二苯基甲基；羧基烷氧基；或通过羰基或羰基亚甲基与氮原子相连的O-或N-杂环基； m为2或3 和 n 是 0 或 1，以及它们的生理上可接受的酸加成盐。式（I）化合物 具有增加血流量的作用，可用于治疗或预防心血管系统疾病。
• ANTIFUNGAL CYCLOHEXAPEPTIDES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1053247A1

  公开（公告）日：2000-11-22