4-(4-溴苯基)哌嗪-1-羧酸苄酯 | 1150271-33-2

• 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: 4-(4-溴苯基)哌嗪-1-羧酸苄酯
• 英文名称: benzyl 4-(4-bromophenyl)piperazine-1-carboxylate
• 英文别名: 4-(4-bromophenyl)piperazine-1-carboxylic acid benzyl ester
• CAS: 1150271-33-2
• 化学式: C₁₈H₁₉BrN₂O₂
• 分子量: 375.265
• InChiKey: AOCMGNPEKPFTEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Benzyl 4-(4-bromophenyl)piperazine-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 4-(4-bromophenyl)piperazine-1-carboxylate
CAS number: 1150271-33-2

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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: C18H19BrN2O2
Molecular weight: 375.3

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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, hydrogen bromide.

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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：

  4-(4-溴苯基)哌嗪-1-羧酸苄酯 在 potassium phosphate 、 2-巯基乙醇 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 以83%的产率得到1-(4-溴苯基)哌嗪
  参考文献：
  名称：

  2-巯基乙醇介导的氨基甲酸酯的亲核脱保护

  摘要：

  通常用于保护胺的氨基甲酸酯，包括 Cbz、Alloc 和氨基甲酸甲酯，可以在 75 °C下，在N，N-二甲基乙酰胺中的磷酸三钾存在下，通过用 2-巯基乙醇处理很容易地脱保护。对于具有对这些更传统方法敏感的功能的底物，这种亲核脱保护方案优于标准氢解或路易斯酸介导的脱保护条件。

  DOI：

  10.1021/acs.orglett.2c01410
• 作为产物：
  描述：

  benzyl 4-phenylpiperazine-1-carboxylate 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(4-溴苯基)哌嗪-1-羧酸苄酯
  参考文献：
  名称：

  GLYCINE COMPOUND

  摘要：

  本发明提供了一种化合物，该化合物可用作药物组合物的活性成分，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物。 本发明的解决方案是，本发明者对具有VAP-1抑制活性的化合物进行了深入研究，结果发现本发明的化合物或其盐表现出优异的VAP-1抑制活性，并且对于预防和/或治疗与VAP-1相关的疾病，特别是糖尿病肾病或糖尿病黄斑水肿，具有用处，从而完成了本发明。本发明还涉及一种药物组合物，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物，其包括本发明的化合物或其盐以及赋形剂。

  公开号：

  US20120184520A1

文献信息

• [EN] 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES DE 2,3,6-TRISUBSTITUE 4-PYRIMIDONE
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2004085408A1

  公开（公告）日：2004-10-07

  A pyrimidone derivative having tau protein kinase 1 inhibitory activity which is represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof; useful for prventive and/or therapeutic treatment of diseass such as neurodegenerative diseases (e.g. Alzheimer disease); wherein Q represents CH or nitrogen atom; R represents a C1-C12 alkyl group; the ring of Formula (I): represents piperazine ring or piperidine ring; each X independently represents a C1-C8 alkyl group, an optionally partially hydrogenated C6-C10 aryl ring, an indan ring or the like; m represents an integer of 1 to 3; each Y independently represents a halogen atom, a hydroxy group, a cyano group, a C1-C6 alkyl group or the like; n represents an integer of 0 to 8; when X and Y or two Y groups are attached on the same carbon atom, they may combine to each other to form a C2-C6 alkylene group.

  一种具有tau蛋白激酶1抑制活性的嘧啶酮衍生物，其由化学式（I）或其盐、溶剂合物或水合物表示；用于预防和/或治疗神经退行性疾病（例如阿尔茨海默病）；其中Q代表CH或氮原子；R代表C1-C12烷基基团；化学式（I）的环：代表哌嗪环或哌啶环；每个X独立地代表C1-C8烷基基团、可选择性部分氢化的C6-C10芳环、茚环或类似物；m代表1到3的整数；每个Y独立地代表卤素原子、羟基、氰基、C1-C6烷基基团或类似物；n代表0到8的整数；当X和Y或两个Y基团连接在同一碳原子上时，它们可以结合形成C2-C6烷基基团。
• TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION
  申请人：BRAUN Alain Jean

  公开号：US20110009391A1

  公开（公告）日：2011-01-13

  The present invention relates to tetrahydroquinoxaline urea derivatives, to their preparation and to their therapeutic application.

  本发明涉及四氢喹噁啉脲衍生物，其制备方法及其治疗应用。
• 2,3,6-Trisubstituted-4-pyrimidone derivatives
  申请人：Watanabe Kazutoshi

  公开号：US20060252768A1

  公开（公告）日：2006-11-09

  A pyrimidone derivative having tau protein kinase 1 inhibitory activity which is represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof; useful for prventive and/or therapeutic treatment of diseass such as neurodegenerative diseases (e.g. Alzheimer disease); wherein Q represents CH or nitrogen atom; R represents a C 1 -C 12 alkyl group; the ring of Formula (I): represents piperazine ring or piperidine ring; each X independently represents a C 1 -C 8 alkyl group, an optionally partially hydrogenated C 6 -C 10 aryl ring, an indan ring or the like; m represents an integer of 1 to 3; each independently represents a halogen atom, a hydroxy group, a cyano group, a C 1 -C 6 alkyl group or the like; n represents an integer of 0 to 8; when X and Y or two Y groups are attached on the same carbon atom, they may combine to each other to form a C 2 -C 6 alkylene group.

  具有tau蛋白激酶1抑制活性的嘧啶酮衍生物，其由式（I）或其盐、溶剂化物或水合物表示; 用于预防和/或治疗神经退行性疾病（例如阿尔茨海默病）等疾病; 其中Q表示CH或氮原子; R表示C1-C12烷基; 公式（I）的环表示哌嗪环或哌啶环; 每个X独立地表示C1-C8烷基，可选部分氢化的C6-C10芳环，茚环或类似物; m表示1至3的整数; 每个独立地表示卤素原子，羟基，氰基，C1-C6烷基或类似物; n表示0至8的整数; 当X和Y或两个Y基附着在同一碳原子上时，它们可以结合形成C2-C6烷基lene基团。
• TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION
  申请人：Braun Alain Jean

  公开号：US20120245148A1

  公开（公告）日：2012-09-27

  The present invention relates to tetrahydroquinoxaline urea derivatives, to their preparation and to their therapeutic application.

  本发明涉及四氢喹喔啉脲衍生物，其制备方法及其治疗应用。
• Tetrahydroquinoxaline urea derivatives
  申请人：Sanofi-Aventis

  公开号：US08211892B2

  公开（公告）日：2012-07-03

  The present invention relates to tetrahydroquinoxaline urea derivatives of Formula (I): as disclosed herein, to their preparation and to their therapeutic application.

  本发明涉及公式（I）的四氢喹啉脲衍生物，其制备和治疗应用，如本文所述。