4-N-叔丁氧羰基-4-N-甲基氨基哌啶 | 108612-54-0

• 物质功能分类: 医药中间体 - 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-N-叔丁氧羰基-4-N-甲基氨基哌啶
• 中文别名: 4-N-BOC-甲氨基哌啶；4-N-boc-4-甲基氨基哌啶；4-BOC-4-甲氨基哌啶；4-N-BOC-4-甲氨基哌啶；4-N-甲基氨基-4-N-叔丁氧羰基哌啶；4-N-Boc-4-N-甲氨基哌啶；4-N-BOC-4-N-甲基氨基哌啶；4-(N-Boc-N-甲基)氨基哌啶；4-(N-BOC-N-甲氨基)哌啶；4-(N-Boc-甲氨基)哌啶；4-(N-Boc-N-甲基氨基)哌啶
• 英文名称: tert-butyl methyl(piperidin-4-yl)carbamate
• 英文别名: tert-butyl N-methyl-N-(4-piperidyl)carbamate；tert-butyl N-methyl-N-(piperidin-4-yl)carbamate；tert-butyl N-methyl(piperidin-4-yl)carbamate；methyl(piperidin-4-yl)carbamic acid tert-butyl ester；4-(N-boc-methylamino)piperidine；4-(N-tert-butyloxycarbonyl-N-methylamino)-piperidine；4-(N-Boc-4-N-methylamino)piperidine；4-(N-Boc-N-methyl)aminopiperidine；tert-butyl N-methyl-N-piperidin-4-ylcarbamate
• CAS: 108612-54-0
• 化学式: C₁₁H₂₂N₂O₂
• mdl: MFCD02683051
• 分子量: 214.308
• InChiKey: DJJOYDXRUBOZON-UHFFFAOYSA-N

物化性质

• 熔点：
  50°C(lit.)
• 沸点：
  287.9±29.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  29339900
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放于惰性气体中，避免接触空气。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: tert-Butyl N-methyl-N-(piperidin-4-yl)carbamate
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: tert-Butyl N-methyl-N-(piperidin-4-yl)carbamate
CAS number: 108612-54-0

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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, refrigerated.
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: C11H22N2O2
Molecular weight: 214.3

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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

制备方法与用途

4-N-叔丁氧羰基-4-N-甲基氨基哌啶可作为有机合成中间体和医药中间体，在实验室研发过程及化工生产中广泛应用。

制备该化合物时，首先将1-(苄氧基羰基)-4-(N-甲基-叔丁氧基羰基氨基)哌啶（0.35g，1mmol）溶解于无水甲醇（20mL）中。然后，在混合物中加入Pd(OH)₂（14.11mg，0.1mmol），并在室温下于氢气氛围中搅拌2小时。待TLC显示起始物料已被消耗后，通过硅胶过滤除去溶剂，并在减压条件下除去滤液中的溶剂，最终得到粗制的4-(N-甲基-叔丁氧基羰基氨基)哌啶（0.2g，产率60%）。

反应信息

• 作为反应物：
  描述：

  4-N-叔丁氧羰基-4-N-甲基氨基哌啶 在 四(三苯基膦)钯 、 sodium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
  参考文献：
  名称：

  A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor

  摘要：

  我们在此提出了一种新颖的配体优化的解剖-进化策略。

  DOI：

  10.1039/c7md00104e
• 作为产物：
  描述：

  1-苄基-4-甲氨基哌啶 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 4-N-叔丁氧羰基-4-N-甲基氨基哌啶
  参考文献：
  名称：

  从杂芳基氯化物有效钯催化合成1-杂芳基-4-氨基哌啶衍生物

  摘要：

  描述了一种从杂芳基氯衍生物开始合成1-杂芳基-4-（N-甲基）氨基哌啶的有效方案。使用DavePhos作为Pd催化的Buchwald-Hartwig胺化反应的最佳配体，可以以良好或优异的收率获得多种1-杂芳基-4-（N -Boc- N-甲基）氨基哌啶衍生物。经过温和有效的酸解后，可以成功获得胺化产物。

  DOI：

  10.1016/j.tetlet.2017.04.014
• 作为试剂：
  描述：

  1,4-二溴酞嗪 、 4-N-叔丁氧羰基-4-N-甲基氨基哌啶 在 4-N-叔丁氧羰基-4-N-甲基氨基哌啶 作用下， 以95的产率得到tert-butyl 1-(4-bromophthalazin-1-yl)piperidin-4-yl(methyl)carbamate
  参考文献：
  名称：

  Disubstituted phthalazine hedgehog pathway antagonists

  摘要：

  本发明提供了新型的1,4-二取代菲噻嗪刺猬途径拮抗剂，可用于治疗癌症。

  公开号：

  US08273742B2

文献信息

• PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS
  申请人：Arora Nidhi

  公开号：US20120015962A1

  公开（公告）日：2012-01-19

  Compounds of the formula I or II: wherein X, m, Ar, R 1 and R 2 are as defined herein. The subject compounds are useful for treatment of IRAK-mediated conditions.

  式I或II的化合物： 其中X，m，Ar，R1和R2如本文所定义。所述化合物对于治疗IRAK介导的疾病是有用的。
• [EN] ANTHELMINTIC AGENTS AND THEIR USE<br/>[FR] AGENTS ANTHELMINTIQUES ET LEUR UTILISATION
  申请人：INTERVET INT BV

  公开号：WO2010115688A1

  公开（公告）日：2010-10-14

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration of the compounds and salts to animals in need of the treatments.

  这项发明涉及一般用作驱虫剂或作为制备驱虫剂的中间体的化合物和盐。这项发明还涉及制备这些化合物和盐的方法，包括这些化合物和盐的药物组合物和试剂盒，使用这些化合物和盐制备药物，以及将这些化合物和盐用于需要治疗的动物的治疗方法。
• [EN] SUBSTITUTED PYRAZOLE AND PYRROLE COMPOUNDS AND METHODS FOR USING THEM FOR INHIBITION OF INITIATION OF TRANSLATION AND TREATMENT OF DISEASES AND DISORDERS RELATING THERETO<br/>[FR] COMPOSÉS PYRAZOLE ET PYRROLE SUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CES DERNIERS POUR L'INHIBITION DE L'INITIATION DE LA TRADUCTION ET LE TRAITEMENT DE MALADIES ET DE TROUBLES ASSOCIÉS À CETTE DERNIÈRE
  申请人：BANTAM PHARMACEUTICAL LLC

  公开号：WO2016196644A1

  公开（公告）日：2016-12-08

  Disclosed are pyrazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure (I) and pharmaceutically acceptable salts and /V-oxides thereof, wherein X1, X2, Z1, Z2, the ring system denoted by "a", R1, A1A, L1B, A1B, L1A, L2, Q, L3, R3, A4A, L4B, A4B, L4A, R4, L5, and R5 are as described herein. In certain embodiments, compounds disclosed herein disrupt the elF4E/eiF4G interaction, and can be used to treat hyperproliferative disorder, a neurological disease or disorder, or autism.

  揭示了吡唑化合物，以及其药物组合物和使用方法。其中一种实施例是具有结构（I）及其药用可接受的盐和/或氧化物，其中X1、X2、Z1、Z2、由“a”表示的环系统、R1、A1A、L1B、A1B、L1A、L2、Q、L3、R3、A4A、L4B、A4B、L4A、R4、L5和R5如本文所述。在某些实施例中，本文所披露的化合物破坏elF4E/eiF4G相互作用，并可用于治疗过度增殖性疾病、神经系统疾病或障碍，或自闭症。
• 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。
• Substituted Indole Compounds
  申请人：Schunk Stefan

  公开号：US20100222324A1

  公开（公告）日：2010-09-02

  Substituted indole compounds corresponding to the formula I: In which R 8 , R 9a , R 9b , R 10 , R 11 , R 200 , R 210 , A, D, T, q, s and t have defined meanings, processes for the preparation thereof, pharmaceutical compositions containing such compounds and the use of substituted indole compounds for the treatment or inhibition of pain and other conditions which are at least partly mediated by Bradykinin 1 receptors (B1R).

  将与下式I对应的吲哚化合物替代： 其中R8、R9a、R9b、R10、R11、R200、R210、A、D、T、q、s和t具有定义的含义，其制备方法，含有这种化合物的药物组合物以及用于治疗或抑制至少部分由Bradykinin 1受体（B1R）介导的疼痛和其他病症的替代吲哚化合物的用途。