1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪 | 189442-78-2

• 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: 1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪
• 中文别名: 1-BOC-3-(甲氧基甲基氨基甲酰基)哌嗪；3-[甲氧基(甲基)氨基甲酰]哌嗪-1-甲酸叔丁酯；1-BOC-N-甲氧基-N-甲基哌啶-3-甲酰胺；3-[(甲氧基甲氨)羰基]-1-哌啶羧酸-1,1-二甲基乙酯；1-Boc-3-(甲氧基(甲基)氨基甲酰)哌嗪
• 英文名称: tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate
• 英文别名: Tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• CAS: 189442-78-2
• 化学式: C₁₃H₂₄N₂O₄
• mdl: MFCD03069732
• 分子量: 272.345
• InChiKey: NQGXVXHYGRAABB-UHFFFAOYSA-N

物化性质

• 沸点：
  343.8±52.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.846
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Boc-3-(methoxy-methyl-carbamoyl)piperidine
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: 1-Boc-3-(methoxy-methyl-carbamoyl)piperidine
CAS number: 189442-78-2

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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: C13H24N2O4
Molecular weight: 272.3

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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：

  1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-methoxy-N-methylpiperidine-3-carboxamide
  参考文献：
  名称：

  [EN] (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE (PIPÉRIDIN-3-YL)(NAPHTALÉN-2-YL)MÉTHANONE ET COMPOSÉS ASSOCIÉS UTILISÉS COMME INHIBITEURS DE L'HISTONE DÉMÉTHYLASE KDM2B POUR LE TRAITEMENT DU CANCER

  摘要：

  本发明涉及（哌啶-3-基）（萘-2-基）甲酮衍生物和相关化合物，作为一种或多种组蛋白去甲基酶抑制剂，如KDM2b。该发明还提供了包括本发明化合物的药学上可接受的组合物，并公开了使用该类组合物治疗癌症，如肺癌、白血病或淋巴瘤的方法。

  公开号：

  WO2016112284A1
• 作为产物：
  描述：

  3-哌啶甲酸 在 sodium hydroxide 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪
  参考文献：
  名称：

  新型IKK-β抑制剂的合成与构效关系。第2部分：提高体外活性。

  摘要：

  合成了一系列的2-氨基-3-氰基-4-烷基-6-（2-羟基苯基）吡啶衍生物，并将其评估为IkappaB激酶β（IKK-β）抑制剂。氨基吡啶基团取代核心吡啶环上4位的芳香族基团导致激酶酶和细胞效能的显着增加，并提供了具有低于100 nM的IC（50）值的强效IKK-β抑制剂。

  DOI：

  10.1016/j.bmcl.2004.05.040
• 作为试剂：
  描述：

  镁 、 碘 、 邻氟氯苄 、 1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪 、 氯化铵 在 1-Boc-3-[甲氧基(甲基)氨基甲酰]哌嗪 、 ice 、 Brine 、 magnesium sulfate 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 乙醚 、 乙酸乙酯 为溶剂， 反应 0.75h， 以to obtain the title compound (564 mg, 27% yield)的产率得到1-[1-(tert-Butoxycarbonyl)piperidin-3-yl]-2-(2-fluorophenyl)ethanone
  参考文献：
  名称：

  Nitrogen containing heterocyclic compounds and medicines containing the same

  摘要：

  下列通式所代表的化合物：1（其中X1，X2，X3和X4各自独立地代表单键，C1-6烷基等；A2代表可选取代的苯基等；A1代表可选取代的5-至7-成员的杂环基，包含-C（═Q1）-（其中Q1代表氧、硫或═N—R11（其中R11代表氢或C1-6烷基））和氮等；Z1代表哌啶基等），其盐和水合物。

  公开号：

  US20040167224A1

文献信息

• NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20160168139A1

  公开（公告）日：2016-06-16

  There is provided a morpholine derivative represented by General Formula [1A] or a salt thereof. (In the formula, a ring A represents a ring represented by General Formula [I]; * represents a bonding position; Z 2 represents CH or the like; Z 1 represents CR 6 or the like; R 6 represents a hydrogen atom or the like; X 1 represents CHR 7 or the like; R 7 represents a hydrogen atom or the like; X 2 represents CH 2 or the like; R 1 and R 2 are the same as or different from each other, and each of R 1 and R 2 represents a hydrogen atom or the like; R 3 , R 4 , and R 5 are the same as or different from each other, and each of R 3 , R 4 , and R 5 represents a hydrogen atom, NR a R b , or the like; and each of R a and R b represents a hydrogen atom, a C 1-8 alkyl group which may have a substituent, or the like.)

  提供一种由通用式[1A]表示的吗啉衍生物或其盐。 （在该式中，环A代表由通用式[I]表示的环；*代表连接位置；Z 2 代表CH或类似物；Z 1 代表CR 6 或类似物；R 6 代表氢原子或类似物；X 1 代表CHR 7 或类似物；R 7 代表氢原子或类似物；X 2 代表CH 2 或类似物；R 1 和R 2 相同或不同，且R 1 和R 2 中的每一个代表氢原子或类似物；R 3 ，R 4 和R 5 相同或不同，且R 3 ，R 4 和R 5 中的每一个代表氢原子，NR a R b 或类似物；R a 和R b 中的每一个代表氢原子，可能具有取代基的C 1-8 烷基基团，或类似物。）
• Pyrrolopyrimidines useful as inhibitors of protein kinase
  申请人：Ledeboer Mark

  公开号：US20060183761A1

  公开（公告）日：2006-08-17

  The present invention relates to compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

  本发明涉及作为蛋白激酶抑制剂有用的化合物。该发明还提供了包括所述化合物的药学上可接受的组合物，以及在治疗各种疾病、症状或紊乱中使用这些组合物的方法。
• Microwave-Assisted Synthesis of Novel (5-Nitropyridin-2-yl)alkyl and (5-Nitropyridin-3-yl)alkyl Carbamates
  作者：Christophe Henry、Andreas Haupt、Sean C. Turner

  DOI：10.1021/jo802439d

  日期：2009.3.6

  straightforward approach to novel (5-nitropyridin-2-yl)alkyl and (5-nitropyridin-3-yl)alkyl carbamate building blocks is presented in this study. Their construction is achieved by condensation of N-carbamate α- and β-amino carbonyl derivatives with 1-methyl-3,5-dinitro-2-pyridone 1 under microwave irradiation. Judiciously chosen modifications in the nature of the parent carbonyl starting material has influenced

  在这项研究中提出了一种新颖的方法，以新颖的（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯结构单元。它们的构造是通过在微波辐射下使N-氨基甲酸酯α-和β-氨基羰基衍生物与1-甲基-3,5-二硝基-2-吡啶酮1缩合而实现的。母体羰基原料性质的明智选择的修饰影响了反应的区域化学结果，并允许有效地获得新型的含氮支架。具有相同形态相似性的化合物已收集到三个在单个结构参数上彼此不同的库中。
• [EN] INHIBITORS OF THE MENIN-MLL INTERACTION<br/>[FR] INHIBITEURS DE L'INTERACTION MÉNINE-MLL
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2018053267A1

  公开（公告）日：2018-03-22

  The present invention is directed to inhibitors of the interaction of menin with MLL and MLL fusion proteins, pharmaceutical compositions containing the same, and their use in the treatment of cancer and other diseases mediated by the menin-MLL interaction.

  本发明涉及抑制menin与MLL及MLL融合蛋白相互作用的抑制剂，含有这些抑制剂的药物组合物，以及它们在治疗由menin-MLL相互作用介导的癌症和其他疾病中的应用。
• RENIN INHIBITORS
  申请人：Baldwin John J.

  公开号：US20100184805A1

  公开（公告）日：2010-07-22

  Disclosed are aspartic protease inhibitors represented by the following structural formula: and pharmaceutically acceptable salts thereof. These compounds are orally active and bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with aspartic protease activity. The present invention is also directed to pharmaceutical compositions comprising a compound described herein or enantiomers, diastereomers, or salts thereof and a pharmaceutically acceptable carrier or excipient.

  揭示了以下结构式所代表的天冬氨酸蛋白酶抑制剂，以及其药学上可接受的盐。这些化合物可经口给药，并结合到天冬氨酸蛋白酶上以抑制其活性。它们在治疗或改善与天冬氨酸蛋白酶活性有关的疾病方面具有用途。本发明还涉及包括本文所述化合物或其对映体、二对映体或盐以及药学上可接受的载体或赋形剂的制药组合物。