1-(2-溴苯基)哌嗪 | 1011-13-8

• 物质功能分类: 有机原料 - 杂环化合物
• 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-(2-溴苯基)哌嗪
• 中文别名: 2-溴苯基哌嗪
• 英文名称: 1-(2-bromophenyl)piperazine
• CAS: 1011-13-8
• 化学式: C₁₀H₁₃BrN₂
• 分子量: 241.131
• InChiKey: JVTRURBMYILQDA-UHFFFAOYSA-N

物化性质

• 沸点：
  94-96°C/0.02mm
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(2-Bromophenyl)piperazine
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-(2-Bromophenyl)piperazine
CAS number: 1011-13-8

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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: C10H13BrN2
Molecular weight: 241.1

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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：

  1-(2-溴苯基)哌嗪 在 氢溴酸 、 仲丁基锂 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 79.25h， 生成 沃替西汀氢溴酸盐
  参考文献：
  名称：

  Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates

  摘要：

  本发明提供了一种新的合成工艺，用于生产用于治疗抑郁症和焦虑症的药物1-(2-((2,4-二甲基苯基)硫)苯基)哌嗪（伏地奥西汀），该工艺通过(2-(哌嗪-1-基)苯基)锂中间体进行。

  公开号：

  EP2878596A1
• 作为产物：
  描述：

  4-(2-溴苯基)哌嗪-1-羧酸叔丁酯 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 以85%的产率得到1-(2-溴苯基)哌嗪
  参考文献：
  名称：

  [EN] SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1
  [FR] AGONISTES À PETITES MOLÉCULES DE RÉCEPTEUR DE NEUROTENSINE 1

  摘要：

  提供的是小分子神经降压素受体激动剂，包含这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。

  公开号：

  WO2014100501A1

文献信息

• (2-杂芳基胺基苯基)氮杂环衍生物及其用途
  申请人：广东东阳光药业有限公司

  公开号：CN109912514B

  公开（公告）日：2022-11-18

  本发明公开了(2‑杂芳基胺基苯基)氮杂环衍生物及其用途，以及包含该类化合物的药物组合物，它们可用于抑制5‑羟色胺再摄取。本发明还涉及制备这类化合物和药物组合物的方法，以及它们在治疗中枢神经系统功能障碍，特别是情感障碍中的用途。
• 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US20140371204A1

  公开（公告）日：2014-12-18

  The invention relates to compounds of Formula (I) wherein ring A, X, (R 1 ) n , R 2 , R 3 , R 4 , R 4′ , R 5 , n, and p are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as modulators of the CXCR3 receptor.

  本发明涉及式(I)化合物，其中环A、X、(R1)n、R2、R3、R4、R4′、R5、n和p如描述中所述；涉及药用可接受的盐，以及将此类化合物用作药物，尤其是用作CXCR3受体的调节剂。
• 二芳基硫醚胺类化合物的制备方法
  申请人：江苏豪森药业集团有限公司

  公开号：CN104829558B

  公开（公告）日：2020-03-03

  本发明涉及二芳基硫醚胺类化合物的制备方法。具体而言，本发明涉及一种如式I所示的1‑[2‑(2,4‑二甲基苯基硫烷基)苯基]哌嗪衍生物的制备方法，其包括式V化合物与式IV化合物经环合、缩合或上氨基保护基，再进一步缩合等步骤而得到目标化合物。与其他方法相比，本发明具有工艺重现性好、操作简单；同时还具有收率高、成本低、所得样品纯度高的特点，更适合工业化生产，具有很高的经济效益。
• Microwave-enhanced and ligand-free copper-catalyzed cyanation of aryl halides with K4[Fe(CN)6] in water
  作者：Yunlai Ren、Wei Wang、Shuang Zhao、Xinzhe Tian、Jianji Wang、Weiping Yin、Lin Cheng

  DOI：10.1016/j.tetlet.2009.05.073

  日期：2009.8

  Copper-catalyzed cyanation of aryl halides was improved to be more economical and environmentally friendly by using water as the solvent and ligand-free Cu(OAc)2·H2O as the catalyst under microwave heating. The suggested methodology was applicable to a wide range of substrates including aryl iodides and activated aryl bromides.

  在微波加热下，以水为溶剂，以无配位的Cu（OAc）2 ·H 2 O作为催化剂，可以提高芳基卤化物的铜催化氰化反应的经济性和环境友好性。所建议的方法学适用于多种底物，包括芳基碘化物和活化的芳基溴化物。
• 1,2-Di(cyclic)substituted benzene compounds
  申请人：Kawahara Tetsuya

  公开号：US20050261291A1

  公开（公告）日：2005-11-24

  In one aspect, the present invention provides compounds having formula (1) or (100), a salt thereof or a hydrate of the foregoing, which compounds exhibit excellent cell adhesion inhibitory action or cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome; rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis. wherein R10 represents optionally substituted cycloalkyl, etc., R20-23 represent hydrogen, alkyl, alkoxy, etc., R30-32 represent hydrogen, alkyl, oxo, etc., and R40 represents optionally substituted alkyl, etc.

  在一个方面，本发明提供具有式（1）或（100）的化合物，其盐或前述的水合物，这些化合物表现出优异的细胞粘附抑制作用或细胞浸润抑制作用，并且可用作治疗或预防与白细胞粘附和浸润相关的各种炎症性疾病和自身免疫疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征；类风湿性关节炎、牛皮癣、多发性硬化、哮喘和特应性皮炎。 其中R10代表可选择地取代的环烷基等，R20-23代表氢、烷基、烷氧基等，R30-32代表氢、烷基、氧代基等，R40代表可选择地取代的烷基等。