1-Boc-3-甲基哌嗪 | 120737-59-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-Boc-3-甲基哌嗪
• 中文别名: 4-Boc-2-甲基哌嗪；4-N-Boc-2-甲基哌嗪；4-叔丁氧羰基-2-甲基哌嗪；4-叔丁氧羰基-2-甲基-哌嗪；1-BOC-3-甲基哌嗪
• 英文名称: tert-butyl 3-methylpiperazine-1-carboxylate
• 英文别名: 1-tert-butoxycarbonyl-3-methylpiperazine；1-Boc-3-methylpiperazine；4-N-Boc-2-methylpiperazine
• CAS: 120737-59-9
• 化学式: C₁₀H₂₀N₂O₂
• mdl: MFCD03001706
• 分子量: 200.281
• InChiKey: FMLPQHJYUZTHQS-UHFFFAOYSA-N

物化性质

• 沸点：
  268.7±15.0 °C(Predicted)
• 密度：
  0.997±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、DMSO、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 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
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-N-Boc-2-methyl-piperazine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
H410: Very toxic to aquatic life with long lasting effects
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P273: Avoid release to the environment
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4-N-Boc-2-methyl-piperazine
CAS number: 120737-59-9

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10 H20 N2 O2
Molecular weight: 200.3

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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-甲基哌嗪 在 dimethyl sulfide borane 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.5h， 生成
  参考文献：
  名称：

  基于手性Dabco衍生物（Dabco ＝ 1，4-二氮杂双环[2.2.2]辛烷）的高Tc对映体铁电体。

  摘要：

  1,4-二氮杂双环[2.2.2]辛烷（dabco）及其衍生物已被广泛用作优秀分子铁电体的构建单元，已有数十年的历史。但是，基于达巴科的同手性铁电体仍然是空白。在此，通过在非铁电性[H 2 dabco] [TFSA] 2（TFSA =双（三氟甲基磺酰基）铵）的[H 2 dabco] 2+中加入甲基（Me）基并引入同手性，我们成功设计了对映体铁电体[ R和S -2-Me-​​H 2 dabco] [TFSA] 2。两种对映体在转变温度（T c）高达405.8 K和415.8 K，这在基于dabco的铁电体和同手性铁电体中都很出色。据我们所知，[ R和S -2-Me-​​H 2 dabco] [TFSA] 2是基于dabco的同手性铁电体的首例。这一发现为构建基于dabco的同手性铁电体开辟了道路，并将激发对更杰出的对映体分子铁电体的探索。

  DOI：

  10.1002/anie.202007660
• 作为产物：
  描述：

  2-甲基哌嗪 以 四氢呋喃 、 水 为溶剂， 生成 1-Boc-3-甲基哌嗪
  参考文献：
  名称：

  CYANOPHENYL DERIVATIVES

  摘要：

  公开号：

  EP1122242B1
• 作为试剂：
  描述：

  8-cyclohexyl-5-isoquinolinesulfonic acid 、 N,N-二甲基甲酰胺 在 二氯甲烷 、 magnesium sulfate 、 1-Boc-3-甲基哌嗪 、 水 、 盐酸 、 异丙醇 、 碳酸氢钠 、 1-(8-cyclohexyl-5-isoquinolinesulfonyl)-2-methylpiperazine 作用下， 以 氯化亚砜 为溶剂， 反应 10.0h， 以This resulted in 470 mg of 1-(8-cyclohexyl-5 isoquinoline-sulfonyl) 2-methyl-piperazine as a colorless foam的产率得到1-(8-cyclohexyl-5-isoquinolinesulfonyl)-2-methylpiperazine
  参考文献：
  名称：

  COMPOUNDS FOR IMPROVING LEARNING AND MEMORY

  摘要：

  本发明提供了一种化合物I的公式：(I)，以及通过给予该化合物的治疗有效剂量来改善受试者记忆的方法。

  公开号：

  US20110237600A1

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2015180612A1

  公开（公告）日：2015-12-03

  Disclosed are novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORγ.

  揭示了新型视黄醇相关孤儿受体γ（RORγ）调节剂及其在通过RORγ介导的疾病治疗中的应用。
• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES D'URÉE PONTÉS SUBSTITUÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079709A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及一种新型的取代桥式脲类似物化合物，其化学式为（I）或其药学上可接受的盐，相应的药物组合物，制备这种化合物的方法以及单独使用或与其他治疗剂联合使用的这些化合物作为Sirtuin调节剂，可用于增加细胞寿命，并用于治疗和/或预防各种疾病和紊乱，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些会受益于增加线粒体活性的疾病或紊乱。
• [EN] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING<br/>[FR] INHIBITEURS DE LA LIAISON PROTÉINE WDR5-PROTÉINE
  申请人：ONTARIO INST FOR CANCER RES (OICR)

  公开号：WO2017147700A1

  公开（公告）日：2017-09-08

  The present application is directed to compounds of Formula I: compounds comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

  本申请涉及到Formula I的化合物：包括这些化合物的化合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、疾病或症状的药物。
• [EN] 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH)<br/>[FR] DERIVES DE 6H-THIENO`2,3-B!PYRROLE EN TANT QU'ANTAGONISTES DE LA GONADOLIBERINE (GNRH)
  申请人：ASTRAZENECA AB

  公开号：WO2004018480A1

  公开（公告）日：2004-03-04

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I): wherein: R1, R2, R3, R4 and R5 are as defined in the specification, which are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.

  这项发明涉及一组新型噻吩-吡咯烷化合物的化学式（I）：其中：R1、R2、R3、R4和R5如规范中定义，这些化合物可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备方法。