1-Boc-4-[(N-甲氧基-N-甲基氨基甲酰基)甲基]哌啶 | 416852-69-2

• 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-4-[(N-甲氧基-N-甲基氨基甲酰基)甲基]哌啶
• 中文别名: 1-BOC-4-[(N-甲氧基-N-甲基氨基甲酰基)甲基]哌啶；1-Boc-4-[(n-甲氧基-n-甲基氨基甲酰)甲基]哌啶；1-Boc-4-[(N-甲氧基-N-甲基氨甲酰基)甲基]哌啶;；1-Boc-4-[(N-甲氧基-N-甲基氨甲酰基)甲基]哌啶
• 英文名称: tert-butyl 4-(2-(methoxy(methyl)amino)-2-oxoethyl)piperidine-1-carboxylate
• 英文别名: 1-Boc-4-[(N-methoxy-N-methylcarbamoyl)methyl]piperidine；tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
• CAS: 416852-69-2
• 化学式: C₁₄H₂₆N₂O₄
• mdl: MFCD07370046
• 分子量: 286.371
• InChiKey: VOUMNMSUVOACEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Boc-4-[(n-methoxy-n-methylcarbamoyl)methyl]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-4-[(n-methoxy-n-methylcarbamoyl)methyl]piperidine
CAS number: 416852-69-2

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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, 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: C14H26N2O4
Molecular weight: 286.4

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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-4-[(N-甲氧基-N-甲基氨基甲酰基)甲基]哌啶 在 正丁基锂 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 正己烷 为溶剂， 反应 67.5h， 生成 Tert-butyl 4-(2-methoxyimino-2-pyridin-2-ylethyl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/108957

  摘要：

  公开号：
• 作为产物：
  描述：

  1-叔丁氧羰基-4-哌啶乙酸 在 二甲羟胺盐酸盐 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 氯仿 为溶剂， 生成 1-Boc-4-[(N-甲氧基-N-甲基氨基甲酰基)甲基]哌啶
  参考文献：
  名称：

  EP1386920

  摘要：

  公开号：

文献信息

• [EN] PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS<br/>[FR] COMPOSES DE PIPERIDINYLE LIANT SELECTIVEMENT LES INTEGRINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004020435A1

  公开（公告）日：2004-03-11

  The invention is directed to piperidinyl compounds of formula (I) and (II) that selectively bind integrin receptors and methods for treating an integrin mediated disorder, wherein W, R2, Z and q are described in the application.

  这项发明涉及选择性结合整合素受体的式(I)和(II)的哌啶基化合物，以及治疗整合素介导的疾病的方法，其中W、R2、Z和q在申请中有描述。
• Nitrogen containing heterocyclic compounds and medicines containing the same
  申请人：——

  公开号：US20040167224A1

  公开（公告）日：2004-08-26

  Compounds represented by the following general formula: 1 (wherein X 1 , X 2 , X 3 and X 4 each independently represent a single bond, C 1-6 alkylene, etc.; A 2 represents optionally substituted phenyl, etc.; A 1 represents an optionally substituted 5- to 7-membered heterocyclic group containing —C(═Q 1 )— (wherein Q 1 represents oxygen, sulfur or ═N—R 11 (wherein R 11 represents hydrogen or C 1-6 alkyl)) and nitrogen, etc.; and Z 1 represents piperidin-diyl, etc.), salts thereof and hydrates of the foregoing.

  由以下一般式表示的化合物： 1 （其中X 1 、X 2 、X 3 和X 4 分别独立表示单键，C 1-6 烷基等；A 2 表示可选择地取代的苯基等；A 1 表示可选择地取代的含有—C(═Q 1 )—的5-至7-成员杂环基团（其中Q 1 表示氧、硫或═N—R 11 （其中R 11 表示氢或C 1-6 烷基））和氮等；以及Z 1 表示哌啶二基等），以及其盐和上述化合物的水合物。
• [EN] MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE<br/>[FR] MODULATEURS D'INDOLAMINE 2,3-DIOXYGÉNASE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019003142A1

  公开（公告）日：2019-01-03

  Provided are IDO inhibitor compounds of Formula I and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and methods for their use in the prevention and/or treatment of diseases. Formula I

  提供了公式I的IDO抑制剂化合物及其药用盐，它们的药物组合物，其制备方法，以及它们在预防和/或治疗疾病中的使用方法。公式I
• [EN] 3- `4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS<br/>[FR] 3- `4- {ALKANOYLE SUBSTITUÉ EN POSITION 6) PYRIDIN-3-YL} -3-PHÉNYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMÉTHYL) -1, 3-OXAZOLIDIN-2-ONES UTILISÉS EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：ASTRAZENECA AB

  公开号：WO2005116022A1

  公开（公告）日：2005-12-08

  Compounds of formula (I) as well as pharmaceutically-acceptable salts and pro-drugs thereof are disclosed wherein R1, R2, R3, and R4 are defined herein. Also disclosed are processes for making compounds of formula (I) as well as methods of using compounds of formula (I) for treating bacterial infections.

  公式（I）的化合物以及其药用可接受的盐和前药已被披露，其中R1、R2、R3和R4在此处被定义。还披露了制备公式（I）化合物的方法，以及使用公式（I）化合物治疗细菌感染的方法。
• Novel Substituted (Pyridin-3-yl)phenyloxazolidinones:  Antibacterial Agents with Reduced Activity against Monoamine Oxidase A and Increased Solubility
  作者：Folkert Reck、Fei Zhou、Charles J. Eyermann、Gunther Kern、Dan Carcanague、Georgine Ioannidis、Ruth Illingworth、Grace Poon、Michael B. Gravestock

  DOI：10.1021/jm070428+

  日期：2007.10.1

  Oxazolidinones represent a new and promising class of antibacterial agents. Current research in this area is mainly concentrated on improving the safety profile and the antibacterial spectrum. Oxazolidinones bearing a (pyridin-3-yl)phenyl moiety (e.g., 3) generally show improved antibacterial activity compared to linezolid but suffer from potent monoamine oxidase A (MAO-A) inhibition and low solubility

  恶唑烷酮代表一类新的有希望的抗菌剂。目前在该领域的研究主要集中在改善安全性和抗菌谱上。与利奈唑胺相比，带有（吡啶-3-基）苯基部分（例如3）的恶唑烷酮通常显示出改善的抗菌活性，但是具有有效的单胺氧化酶A（MAO-A）抑制作用和低溶解度。我们现在公开的发现是，在吡啶基部分上具有无环取代基的3的新类似物对革兰氏阳性病原体（包括耐利奈唑胺的肺炎链球菌）表现出优异的活性。通常，相对于未取代的化合物3，更大的取代基产生的MAO-A抑制作用显着降低。可以使用MAO-A / MAO-B同源模型在对接研究的基础上合理化MAO-A SAR。极性基团的引入增加了溶解度。一种优化的类似物化合物13在大鼠中显示出低清除率，并且在小鼠肺炎模型中抗肺炎链球菌的功效。