1-(2-nitro-phenyl)-piperazine hydrochloride | 6270-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2-nitro-phenyl)-piperazine hydrochloride
• 英文别名: 1-(2-nitrophenyl)piperazine hydrochloride；1-(2-nitro-phenyl)-piperazine; hydrochloride；1-(2-Nitro-phenyl)-piperazin; Hydrochlorid；1-(2-nitrophenyl)piperazine;hydrochloride
• CAS: 6270-12-8
• 化学式: C₁₀H₁₃N₃O₂*ClH
• 分子量: 243.693
• InChiKey: ZSXNQTQDJNJPGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  16
• 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：
  61.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(2-Nitrophenyl)piperazine, HCl
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-Nitrophenyl)piperazine, HCl
CAS number: 6270-12-8

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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.
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: C10H13N3O2.ClH
Molecular weight: 243.7

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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 chloride.

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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-nitro-phenyl)-piperazine hydrochloride 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 17.0h， 以93%的产率得到2-(piperazin-1-yl)aniline hydrochloride
  参考文献：
  名称：

  [EN] SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENYL)ANILINE INTERMEDIATES
  [FR] SYNTHÈSE DE VORTIOXÉTINE VIA DES INTERMÉDIAIRES (2-(PIPÉRAZINE-1-YL)PHÉNYL)ANILINE

  摘要：

  本发明提供了一种新的合成工艺，用于生产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（伏地苯丁），该合成工艺通过(2-(哌嗪-1-基)苯基)苯胺中间体进行。

  公开号：

  WO2015107057A1
• 作为产物：
  描述：

  1-(2-硝基苯基)哌嗪 在 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.25h， 以86%的产率得到1-(2-nitro-phenyl)-piperazine hydrochloride
  参考文献：
  名称：

  [EN] SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENYL)ANILINE INTERMEDIATES
  [FR] SYNTHÈSE DE VORTIOXÉTINE VIA DES INTERMÉDIAIRES (2-(PIPÉRAZINE-1-YL)PHÉNYL)ANILINE

  摘要：

  本发明提供了一种新的合成工艺，用于生产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（伏地苯丁），该合成工艺通过(2-(哌嗪-1-基)苯基)苯胺中间体进行。

  公开号：

  WO2015107057A1

文献信息

• [EN] SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1<br/>[FR] AGONISTES À PETITES MOLÉCULES DE RÉCEPTEUR DE NEUROTENSINE 1
  申请人：SANFORD BURNHAM MED RES INST

  公开号：WO2014100501A1

  公开（公告）日：2014-06-26

  Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  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。
• Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)aniline intermediates
  申请人：LEK Pharmaceuticals d.d.

  公开号：EP2894154A1

  公开（公告）日：2015-07-15

  The present invention provides a new synthetic process for the production of 1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine (vortioxetine), a drug for the treatment of depression and anxiety, which is conducted via (2-(piperazine-1-yl)phenyl)aniline intermediates.

  本发明提供了一种新的合成过程，用于生产治疗抑郁症和焦虑症的药物1-(2-((2,4-二甲基苯基)硫基)苯基)哌嗪（伏地酮），该过程通过(2-(哌嗪-1-基)苯基)苯胺中间体进行。
• SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1
  申请人：SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

  公开号：US20150329497A1

  公开（公告）日：2015-11-19

  Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  本文提供了小分子神经肽T受体激动剂，包括这些化合物的组合物和使用这些化合物和组合物的方法。
• [EN] HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DE TRPML1 HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：LIBRA THERAPEUTICS INC

  公开号：WO2022240992A1

  公开（公告）日：2022-11-17

  Described herein are TRPML1inhibitors and pharmaceutical compositions comprising said inhibitors. The subject compounds and compositions are useful for the treatment of TRPML1-mediated disorders or diseases.

  本文介绍了TRPML1抑制剂和包含该抑制剂的药物组合物。这些化合物和组合物对于治疗TRPML1介导的疾病或疾病非常有用。
• US9868707B2
  申请人：——

  公开号：US9868707B2

  公开（公告）日：2018-01-16