3-肼基苯甲酸盐酸盐 | 87565-98-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-肼基苯甲酸盐酸盐
• 英文名称: 3-hydrazinobenzoic acid hydrochloride
• 英文别名: 3-hydrazinyl benzoic acid hydrochloride；3-hydrazinylbenzoic acid;hydrochloride
• CAS: 87565-98-8
• 化学式: C₇H₈N₂O₂*ClH
• mdl: MFCD11226177
• 分子量: 188.614
• InChiKey: YONFQPJFIKYVLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.35
• 氢给体数：
  3.0
• 氢受体数：
  4.0

安全信息

• 海关编码：
  2928000090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Hydrazinylbenzoic acid hydrochloride
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: 3-Hydrazinylbenzoic acid hydrochloride
CAS number: 87565-98-8

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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: C7H9ClN2O2
Molecular weight: 188.6

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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：

  3-肼基苯甲酸盐酸盐 在 potassium trimethylsilonate 作用下， 以 水 为溶剂， 反应 48.0h， 以64%的产率得到苯甲酸
  参考文献：
  名称：

  有效地进行肼裂解的新（绿色）方法†

  摘要：

  已经开发了一种从（杂）芳族底物中除去肼基的有效方法。通过使用低浓度的三甲基硅烷醇酸酯在四氢呋喃或N，N-二甲基甲酰胺中的合成可以在固体载体上和在溶液中实现。对于水溶性底物，反应可以在水中进行，突出了该方法的环保特性。

  DOI：

  10.1039/c6ob00737f
• 作为产物：
  描述：

  间氨基苯甲酸 在 sodium nitrite 、 sodium sulfite 、 盐酸 作用下， 以 水 为溶剂， 以94%的产率得到3-肼基苯甲酸盐酸盐
  参考文献：
  名称：

  Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts

  摘要：

  本发明提供了一种连续流程，用于合成苯肼盐和取代苯肼盐。重氮化、还原、酸性水解和酸化与酸类创新地集成在一起。使用苯胺或取代苯胺的酸性液体、重氮化试剂、还原剂和酸类作为原料，通过合成过程获得苯肼衍生物盐，这是一个包括重氮化、还原、酸性水解和酸化的三步连续串联反应。所述的合成过程是一种集成解决方案，是在一个集成反应器中进行的。集成反应器的进料口连续填充原料。在集成反应器中，重氮化、还原、酸性水解和酸化被连续有序地进行，苯肼盐或取代苯肼盐在集成反应器的出口处获得，没有中断。总反应时间不超过20分钟。

  公开号：

  US20190152896A1

文献信息

• Aromatic amine derivative and use thereof
  申请人：Taniguchi Takahiko

  公开号：US20090325956A1

  公开（公告）日：2009-12-31

  The present invention provides a novel SCD inhibitor. An SCD inhibitor containing a compound represented by the formula [I] wherein ring A is an optionally substituted aromatic ring, ring B is an optionally substituted ring, ring C is an optionally substituted aromatic ring, R is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, and X is a spacer having 1 to 5 atoms in the main chain, or a salt thereof, or a prodrug thereof.

  本发明提供了一种新型SCD抑制剂。一种包含由下式[I]表示的化合物的SCD抑制剂 其中环A是可选择取代的芳香环，环B是可选择取代的环，环C是可选择取代的芳香环，R是氢原子，可选择取代的碳氢基团或可选择取代的杂环基团，X是具有主链中1到5个原子的间隔物，或其盐，或其前药。
• 一种吡咯烷类整合素调节剂及其用途
  申请人：清药同创（北京）药物研发中心有限公司

  公开号：CN113354635B

  公开（公告）日：2023-04-18

  本发明涉及一种式I所示的化合物及其消旋体、立体异构体、互变异构体、同位素标记物、氮氧化物、溶剂化物、多晶型物、代谢产物、酯、前药或其药学上可接受的盐，以及包含其的药物组合物，其制备方法，及其医药用途，所述式I结构如下：
• [EN] N-ARYL PYRAZOLES AS NRF2 REGULATORS<br/>[FR] N-ARYL PYRAZOLES EN TANT QUE RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018109642A1

  公开（公告）日：2018-06-21

  The present invention relates to N-aryl pyrazole compounds, methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators. In particular, the compounds of this invention include a compound of Formula (I).

  本发明涉及N-芳基吡唑化合物，其制备方法，含有它们的药物组合物以及它们作为NRF2调节剂的用途。具体来说，本发明的化合物包括式（I）的化合物。
• Anti-inflammatory medicaments
  申请人：Flynn L. Daniel

  公开号：US20050288286A1

  公开（公告）日：2005-12-29

  Novel compounds and methods of using those compounds for the treatment of inflammatory conditions are provided. In a preferred embodiment, modulation of the activation state of p38 kinase protein comprises the step of contacting the kinase protein with the novel compounds.

  提供了用于治疗炎症性疾病的新化合物和使用这些化合物的方法。在一个首选实施例中，调节p38激酶蛋白的活化状态包括将该激酶蛋白与新化合物接触的步骤。
• MODULATION OF PROTEIN FUNCTIONALITIES
  申请人：Flynn Daniel L.

  公开号：US20080248548A1

  公开（公告）日：2008-10-09

  New methods for the rational identification of molecules capable of interacting with specific naturally occurring proteins are provided, in order to yield new pharmacologically important compounds and treatment modalities. Broadly, the method comprises the steps of identifying a switch control ligand forming a part of a particular protein of interest, and also identifying a complemental switch control pocket forming a part of the protein and which interacts with said switch control ligand. The ligand interacts in vivo with the pocket to regulate the conformation and biological activity of the protein such that the protein assumes a first conformation and a first biological activity upon the ligand-pocket interaction, and assumes a second, different conformation and biological activity in the absence of the ligand-pocket interaction. Next, respective samples of said protein in the first and second conformations are provided, and these are screened against one or more candidate molecules by contacting the molecules and the samples. Thereupon, small molecules which bind with the protein at the region of the pocket may be identified. Novel protein-modulator adducts and methods of altering protein activity are also provided.

  提供了一种新的方法，用于理性地识别能够与特定天然蛋白质相互作用的分子，以产生新的在药理学上重要的化合物和治疗方式。广义上，该方法包括以下步骤：识别构成感兴趣特定蛋白质一部分的开关控制配体，同时识别构成该蛋白质一部分并与该开关控制配体相互作用的互补开关控制口袋。该配体在体内与口袋相互作用，以调节蛋白质的构象和生物活性，使得蛋白质在配体-口袋相互作用时呈现第一构象和第一生物活性，并在缺乏配体-口袋相互作用时呈现第二不同构象和生物活性。接下来，提供了处于第一和第二构象的蛋白质的各自样本，并通过接触分子和样本对这些样本进行筛选。然后，可以识别与口袋区域的蛋白质结合的小分子。还提供了新颖的蛋白质调节剂加合物和改变蛋白质活性的方法。