N-Cbz-3-氨基哌啶 | 711002-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-Cbz-3-氨基哌啶
• 中文别名: 1-N-Cbz-3-氨基-哌啶；3-氨基哌啶-1-甲酸苄酯；1-N-Cbz-3-氨基哌啶；1-Cbz-3-氨基哌啶；N-CBZ-3-氨基哌啶
• 英文名称: benzyl 3-aminopiperidine-1-carboxylate
• 英文别名: (RS)-benzyl 3-aminopiperidine-1-carboxylate
• CAS: 711002-74-3
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: PBFBPDLWODIXHK-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170°C
• 沸点：
  367.2±42.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Benzyl 3-aminopiperidine-1-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: Benzyl 3-aminopiperidine-1-carboxylate
CAS number: 711002-74-3

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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: C13H18N2O2
Molecular weight: 234.3

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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

反应信息

• 作为反应物：
  描述：

  N-Cbz-3-氨基哌啶 在 palladium 10% on activated carbon 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 生成 3-(5,6-dimethyl-1H-benzoimidazol-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid piperidin-3-ylamide
  参考文献：
  名称：

  WO2006/134318

  摘要：

  公开号：
• 作为产物：
  描述：

  1-哌啶羧酸苄酯 在 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate 、 lithium nitrate 、 copper diacetate 、 sodium acetate 、 氨基甲酸铵 、 苯硫酚 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 N-Cbz-3-氨基哌啶
  参考文献：
  名称：

  有机光氧化还原催化实现饱和氮杂杂环的β-功能化

  摘要：

  由于这些基序中 β-C-H 键的远程和未活化性质，饱和氮杂杂环的直接 β-官能化仍然是一个合成挑战。在此，我们展示了通过两步有机光氧化还原催化方法实现的饱和氮杂杂环的β-功能化。最初，光氧化还原催化的铜介导的饱和氮杂杂环脱氢产生烯氨基甲酸酯。然后用一系列含杂原子的亲核试剂对烯氨基甲酸酯进行反马尔科夫尼科夫加氢功能化，在 β 位提供一系列 C-C、C-O 和 C-N 氮杂杂环。

  DOI：

  10.1021/acscatal.1c00099

文献信息

• [EN] FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLE CONDENSÉS UTILISÉS EN TANT QU'INHIBITEURS DE JAK
  申请人：ALMIRALL SA

  公开号：WO2017220431A1

  公开（公告）日：2017-12-28

  Novel fused pyrazole derivatives of Formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Janus Kinases (JAK).

  公开了式（I）的新型融合吡唑衍生物；以及它们的制备方法，包含它们的药物组合物以及它们作为Janus激酶（JAK）抑制剂在治疗中的用途。
• [EN] SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSES DE PYRAZINONE SUBSTITUES POUR LE TRAITEMENT DE L'INFLAMMATION
  申请人：PHARMACIA CORP

  公开号：WO2005035527A1

  公开（公告）日：2005-04-21

  Kinase inhibitors of Formula (I): wherein X, Ra, Rb, Rc, and Rd are as defined herein, are disclosed.

  Formula (I)的激酶抑制剂：其中X、Ra、Rb、Rc和Rd如本文所定义的那样。
• Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors
  申请人：Bienayme Hugues

  公开号：US20090042876A1

  公开（公告）日：2009-02-12

  The present invention relates to inhibitors of protein kinases of formula I: which can be used in the treatment of various diseases, notably cancer, inflammation or disorders of the central nervous system. It also relates to pharmaceutical compositions containing the compounds according to the invention and their use in therapy.

  本发明涉及式I的蛋白激酶抑制剂，可用于治疗各种疾病，特别是癌症、炎症或中枢神经系统疾病。还涉及含有根据本发明的化合物的药物组合物及其在治疗中的应用。
• ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES
  申请人：Herman Jean

  公开号：US20140088088A1

  公开（公告）日：2014-03-27

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, Formulas (I), (II), (III) and (IV) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent proliferative disorders and their use to manufacture a medicine to treat or prevent proliferative disorders, particularly cancer such as leukemia. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent proliferative disorders. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of proliferative disorders and pathologic conditions such as, but not limited to, cancer such as leukemia.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加合物盐和/或其立体异构体和/或其溶剂化合物，式(I)、(II)、(III)和(IV)中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，以及使用所述化合物来治疗或预防增殖性疾病以及用于制造治疗或预防增殖性疾病的药物，特别是像白血病这样的癌症。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防增殖性疾病。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗增殖性疾病和病理状况的药物，例如癌症如白血病等。
• Directed C–H Functionalization Reactions with a Picolinamide Directing Group: Ni-Catalyzed Cleavage and Byproduct Recycling
  作者：Sovan Biswas、Narendraprasad Reddy Bheemireddy、Mathias Bal、Ben F. Van Steijvoort、Bert U. W. Maes

  DOI：10.1021/acs.joc.9b02299

  日期：2019.10.18

  first Boc activated into tertiary N-Boc-N-substituted picolinamides. These were then cleaved via a Ni-catalyzed esterification reaction with EtOH to give valuable N-Boc protected amines. Ni(cod)2 was used as a catalyst without any ligands or base additives. The byproduct, ethyl 2-picolinate can be used to install the picolinamide DG in a direct or indirect manner on amines. The protocol exhibits a

  已经开发了一种有效的策略，用于裂解吡啶甲酸酰胺引导基团（DG）和回收所产生的副产物。在该方案中，首先将Picolinamides进行Boc活化，形成叔N-Boc-N-取代的picolinamides。然后将它们通过与EtOH的Ni催化酯化反应裂解，得到有价值的N-Boc保护的胺。Ni（cod）2被用作没有任何配体或碱添加剂的催化剂。副产物2-吡啶甲酸乙酯可用于直接或间接将吡啶甲酸酰胺DG安装在胺上。该方案显示出宽泛的官能团耐受性和高产率。为了证明这种方法的实用性，将其应用到了以2-吡啶甲酸酰胺为DG的CH官能化文献的最新选择中。