1,4-双(叔丁氧羰基)哌嗪 | 76535-75-6

• 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: 1,4-双(叔丁氧羰基)哌嗪
• 英文名称: di-tert-butyl piperazine-1,4-dicarboxylate
• 英文别名: ditert-butyl piperazine-1,4-dicarboxylate
• CAS: 76535-75-6
• 化学式: C₁₄H₂₆N₂O₄
• mdl: MFCD01435774
• 分子量: 286.371
• InChiKey: YROXEBCFDJQGOH-UHFFFAOYSA-N

物化性质

• 沸点：
  353.3±17.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  4
• 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：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温下应存放在干燥密封的容器中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,4-Di-tert-butyl piperazine-1,4-dicarboxylate
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: 1,4-Di-tert-butyl piperazine-1,4-dicarboxylate
CAS number: 76535-75-6

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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: 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：

  1,4-双(叔丁氧羰基)哌嗪 在 manganese(III)-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloride 、 碘苯二乙酸 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以45%的产率得到N,N-bis(tert-butoxycarbonyl)-1,4-dihydropyrazine
  参考文献：
  名称：

  锰催化的N-酰基胺和醚的去饱和

  摘要：

  烯胺和烯醇醚是用于化学合成的通用合成子。尽管已经开发出几种方法来接近这些分子，但是通常需要预官能化的起始材料，并且直接去饱和方法仍然很少。在这里，我们报告了使用温和的I（III）氧化剂PhI（OAc）2和电子不足的五氟苯基卟啉锰Mn（TPFPP）Cl的N-保护的环胺和环醚的直接去饱和反应。该系统显示出各种环状胺和醚的α，β-去饱和的高效率。机理探针表明，去饱和反应是通过最初的α-CH羟基化途径发生的，这可以保护产物免于过氧化。

  DOI：

  10.1021/acscatal.9b03457
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 碘 作用下， 反应 1.5h， 生成 1,4-双(叔丁氧羰基)哌嗪
  参考文献：
  名称：

  Molecular Iodine-Catalyzed Facile Procedure for N-Boc Protection of Amines

  摘要：

  An efficient and practical protocol for the protection of various structurally and electronically divergent aryl and aliphatic amines using (Boc)(2)O in the presence of a catalytic amount of molecular iodine (10 mol %) under solvent-free conditions at ambient temperature is presented.

  DOI：

  10.1021/jo0612473
• 作为试剂：
  描述：

  哌嗪 、 sodium hydroxide 、 二碳酸二叔丁酯 在 叔丁醇 、 1,4-双(叔丁氧羰基)哌嗪 、 水 、 二氯甲烷 、 Sodium sulfate-III 作用下， 以 水 、 叔丁醇 为溶剂， 反应 0.75h， 以to afford the title compound as a white solid (17g, 91 mmol)的产率得到N-Boc-哌嗪
  参考文献：
  名称：

  Quinoline derivatives as nk-3 antagonists

  摘要：

  以下化学式（I）的某些化合物或其药学上可接受的盐或水合物：1种制备这种化合物的方法，包含这种化合物的药物组合物以及在医学中使用这种化合物和组合物的用途。

  公开号：

  US20040097518A1

文献信息

• {[[K.18-Crown-6]Br3}n: A tribromide catalyst for the catalytic protection of amines and alcohols
  作者：Gholamabbas Chehardoli、Mohammad Ali Zolfigol、Fateme Derakhshanpanah

  DOI：10.1016/s1872-2067(12)60644-5

  日期：2013.9

  [K.18-Crown-6]Br3}n, a unique tribromide-type catalyst, was utilized for the N-boc protection of amines and trimethylsilylation (TMS) and tetrahydropyranylation (THP) of alcohols. The method is general for the preparation of N-boc derivatives of aliphatic (acyclic and cyclic) and aromatic, and primary and secondary amines and also various TMS-ethers and THP-ethers. The simple separation of the catalyst

  摘要 [K.18-Crown-6]Br3}n 是一种独特的三溴化物型催化剂，用于胺的 N-boc 保护以及醇的三甲基硅烷化 (TMS) 和四氢吡喃化 (THP)。该方法通常用于制备脂肪族（无环和环状）和芳香族的 N-boc 衍生物、伯胺和仲胺以及各种 TMS-醚和 THP-醚。催化剂与产品的简单分离是该方法的众多优点之一。
• MONOMERS, POLYMERS AND PHOTORESIST COMPOSITIONS
  申请人：Rohm and Haas Electronic Materials Korea Ltd.

  公开号：US20180059545A1

  公开（公告）日：2018-03-01

  In one preferred embodiment, polymers are provided that comprise a structure of the following Formula (I): Photoresists that comprises such polymers also are provided.

  在一个首选实施例中，提供了包含以下化学式（I）结构的聚合物： 还提供了包含这种聚合物的光刻胶。
• [EN] SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES<br/>[FR] DÉRIVÉS DE SULFONYLPIPÉRAZINE QUI INTERAGISSENT AVEC LA PROTÉINE RÉGULATRICE DE LA GLUCOKINASE POUR LE TRAITEMENT DU DIABÈTE
  申请人：AMGEN INC

  公开号：WO2012027261A1

  公开（公告）日：2012-03-01

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts thereof, that interact with glucokinase regulatory protein. In addition, the present invention relates to methods of treating type 2 diabetes, and other diseases and/or conditions where glucokinase regulatory protein is involved using the compounds, or pharmaceutically acceptable salts thereof, and pharmaceutical compositions that contain the compounds, or pharmaceutically acceptable salts thereof.

  本发明涉及与葡萄糖激酶调节蛋白相互作用的化合物I式，或其药用盐，此外，本发明涉及使用这些化合物或其药用盐治疗2型糖尿病和其他涉及葡萄糖激酶调节蛋白的疾病和/或症状的方法，以及含有这些化合物或其药用盐的药物组合物。
• Generation and Alkylation of α-Carbamyl Radicals via Organic Photoredox Catalysis
  作者：Joshua B. McManus、Nicholas P. R. Onuska、David A. Nicewicz

  DOI：10.1021/jacs.8b04890

  日期：2018.7.25

  Strategies for the direct C-H functionalization of amines are valuable as these compounds comprise a number of pharmaceuticals, agrochemicals and natural products. This work describes a novel method for the C-H functionalization of carbamate-protected secondary amines via α-carbamyl radicals generated using photoredox catalysis. The use of the highly oxidizing, organic acridinium photoredox catalyst

  胺的直接 CH 官能化策略很有价值，因为这些化合物包括许多药物、农用化学品和天然产品。这项工作描述了一种通过使用光氧化还原催化产生的 α-氨基甲酰基自由基对氨基甲酸酯保护的仲胺进行 CH 官能化的新方法。使用高氧化性有机吖啶光氧化还原催化剂可以直接氧化具有高氧化还原电位的氨基甲酸酯保护的胺，得到相应的氨基甲酰基阳离子自由基。去质子化后，所得的开壳物质可以被各种迈克尔受体截获，得到精心设计的 α-官能化仲胺。该反应在温和的条件下进行，不需要外源氧化还原介质或底物预官能化。此外，
• 강심 활성을 갖는 화합물 및 이를 함유하는 심부전 예방 또는 치료용 약학적 조성물
  申请人：The Industry & Academic Cooperation in Chungnam National University (IAC) 충남대학교산학협력단(220040084104) BRN ▼314-82-09264

  公开号：KR20160108281A

  公开（公告）日：2016-09-19

  본 발명은 강심 활성을 지니는 화합물 및 이를 함유하는 약학적 조성물을 개시하며, 본 발명에 따른 화합물을 포함하는 조성물은 심부전의 예방 및 치료에 유용하다.

  本发明揭示了具有强心活性的化合物及含有该化合物的药学组合物，根据本发明含有该化合物的组合物对预防和治疗心力衰竭是有益的。