4-甲基哌啶-4-羧酸甲酯 | 892493-16-2

• 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-甲基哌啶-4-羧酸甲酯
• 英文名称: methyl 4-methylpiperidine-4-carboxylate
• 英文别名: methyl 4-methyl-4-piperidinecarboxylate；4-methyl-piperidine-4-carboxylic acid methyl ester
• CAS: 892493-16-2
• 化学式: C₈H₁₅NO₂
• mdl: MFCD11045796
• 分子量: 157.213
• InChiKey: KMROKLMQVGAOMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  200.2±33.0 °C(Predicted)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 4-methylpiperidine-4-carboxylate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Methyl 4-methylpiperidine-4-carboxylate
CAS number: 892493-16-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H15NO2
Molecular weight: 157.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-甲基哌啶-4-羧酸甲酯 在 potassium trimethylsilonate 、 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 4-甲基-4-哌啶羧酸(9ci)
  参考文献：
  名称：

  WO2007/8140

  摘要：

  公开号：
• 作为产物：
  描述：

  1-Boc-4-甲基哌啶-4-甲酸甲酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到4-甲基哌啶-4-羧酸甲酯
  参考文献：
  名称：

  用未活化的烯烃和酰基黄原酸酯偶联构建四元中心的一般方法

  摘要：

  据报道，使用未活化的烯烃作为偶合伙伴的，由自由基介导的四元中心构建的一般方法。在这种策略中，容易从羧酸中获得的酰基黄药作为叔自由基的前体。该策略利用了黄药的独特反应性，以有效地将自由基介导的加成物加到未活化的烯烃中，从而扩大了季铵盐中心的建设范围。

  DOI：

  10.1021/acs.orglett.7b00882

文献信息

• [EN] PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG<br/>[FR] DÉRIVÉS D'IMIDAZOLE ET DE TRIAZOLE LIÉS À LA PIPÉRIDINE OU LA PIPÉRAZINE ET LEURS PROCÉDÉS D'UTILISATION POUR AMÉLIORER LA PHARMACOCINÉTIQUE D'UN MÉDICAMENT
  申请人：MERCK SHARP & DOHME

  公开号：WO2015070367A1

  公开（公告）日：2015-05-21

  The piperidine or piperazine linked imidazole and triazole derivatives, compositions comprising said compounds, alone or in combination with other drugs, and methods of using the compounds for improving the pharmacokinetics of a drug are provided. The compounds of the invention are useful in human and veterinary medicine for inhibiting CYP3A4 and for improving the pharmacokinetics of a therapeutic compound that is metabolized by CYP3A4.

  提供了与哌啶或哌嗪连接的咪唑和三唑衍生物，包括所述化合物的组合物，单独或与其他药物结合使用的方法，以及用于改善药物的药代动力学的化合物的方法。该发明的化合物在人类和兽医学中用于抑制CYP3A4并改善由CYP3A4代谢的治疗化合物的药代动力学。
• [EN] TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS<br/>[FR] AGENTS DE DÉGRADATION TRICYCLIQUES D'IKAROS ET D'AIOLOS
  申请人：C4 THERAPEUTICS INC

  公开号：WO2020210630A1

  公开（公告）日：2020-10-15

  Tricyclic cereblon binders for the degradation of Ikaros or Aiolos by the ubiquitin proteasome pathway for therapeutic applications are described.

  三环脑蛋白结合剂通过泛素蛋白酶体途径降解Ikaros或Aiolos以用于治疗应用的描述。
• 一种小分子化合物
  申请人：嘉兴特科罗生物科技有限公司

  公开号：CN110862376A

  公开（公告）日：2020-03-06

  本发明提供的一种小分子化合物，其特征在于，为由如下结构式所示的化合物或其立体异构体，几何异构体，互变异构体，消旋体，水合物，溶剂化物，代谢产物以及药学上可接受的盐或前药：其中，X1、X2选自碳或氮；Z为碳或氮；n1为0，1；n2，n3相同或不相同，为0或任意自然数；G表示的环状基团为饱和杂环；饱和杂环上的任一或任几个氢原子为R所取代；R选自氢、卤素、烷基、取代的烷基、氨基、胺基、取代的胺基、羧基、酰胺基、取代的酰胺基、酯基、取代的羰基、环烷基、取代的环烷基、杂环烷基、取代的杂环烷基、芳基、取代的芳基、杂芳基、取代的杂芳基、取代的砜基、取代的亚砜基。本发明的小分子化合物能用于治疗、预防和缓解自身免疫性疾病和或与免疫相关的炎症性皮肤病。
• [EN] ROR NUCLEAR RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS NUCLÉAIRES ROR
  申请人：ABBVIE INC

  公开号：WO2016198908A1

  公开（公告）日：2016-12-15

  The invention provides compounds of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological conditions.

  本发明提供了式(I)化合物的药物可接受的盐、前药、生物活性代谢物、立体异构体和它们的同分异构体，其中变量如本文所述定义。本发明的化合物用于治疗免疫性疾病。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIDINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071454A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I: (I) or pharmaceutically acceptable salt or solvate thereof, wherein A, B, X1, X2, X3, X4, Ring D, E, Ra, Rb, n and m have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文提供了Formula I的化合物：(I)或其药用可接受的盐或溶剂，其中A、B、X1、X2、X3、X4、环D、E、Ra、Rb、n和m的含义如规范中所述，它们是RET激酶的抑制剂，并且在治疗和预防可以用RET激酶抑制剂治疗的疾病中非常有用，包括与RET相关的疾病和紊乱。