2-氨基-4-氯苯甲酰胺 | 5900-59-4

• 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 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-4-氯苯甲酰胺
• 中文别名: 2 -氨基- 4 -氯苯甲酰胺
• 英文名称: 2-amino-4-chlorobenzamide
• 英文别名: 4-chloro-2-aminobenzamide
• CAS: 5900-59-4
• 化学式: C₇H₇ClN₂O
• mdl: MFCD09042792
• 分子量: 170.598
• InChiKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N

物化性质

• 熔点：
  181.5 °C
• 沸点：
  308.8±27.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S36/37
• 危险类别码：
  R43
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4-chlorobenzamide
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: 2-Amino-4-chlorobenzamide
CAS number: 5900-59-4

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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: C7H7ClN2O
Molecular weight: 170.6

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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

制备方法与用途

用途

2-氨基-4-氯苯甲酰胺用作研究用化合物。

反应信息

• 作为反应物：
  描述：

  2-氨基-4-氯苯甲酰胺 在 sodium hydroxide 、 硫酸 作用下， 生成 2-苯甲酰氨基-4-氯-苯甲酸
  参考文献：
  名称：

  Hunn, Journal of the American Chemical Society, 1923, vol. 45, p. 1028

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯靛红酸酐 在 ammonium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-氨基-4-氯苯甲酰胺
  参考文献：
  名称：

  1,2,3-Benzotriazin-4-one衍生物对根结线虫的合成及杀线虫活性

  摘要：

  通过3-溴烷基-1,2,3-苯并三嗪-4-酮与2-氰基氨基-4-氧噻唑烷的钾盐反应，合成了一系列新的1,2,3-苯并三嗪-4-酮衍生物。碘化钾的存在。杀线虫试验在体内表明，它们中的一些表现出对所造成的黄瓜根结线虫病良好的防治效果南方根结线虫以10.0毫克的L的浓度，最高可达100％-1，表明1,2,3-苯并三-4-one衍生物可能是新型杀线虫剂的潜力。杀线虫活性受分子中取代基类型，取代位置和接头长度的组合影响。浓度为5.0和1.0 mg L –1时的抑制率数据还提供了具有高抑制活性的化合物。当在体外测试时，没有一个对隐孢霉菌有直接抑制作用。体内和体外数据之间显着差异的研究正在进行中。

  DOI：

  10.1021/acs.jafc.5b01762

文献信息

• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• Iron nitrate/TEMPO-catalyzed aerobic oxidative synthesis of quinazolinones from alcohols and 2-aminobenzamides with air as the oxidant
  作者：Yongke Hu、Lei Chen、Bindong Li

  DOI：10.1039/c6ra12164k

  日期：——

  A highly efficient, Iron nitrate/TEMPO-catalyzed approach for the synthesis of quinazolinones has been achieved via a one-pot, tandem aerobic oxidative cyclization of primary alcohols with 2-aminobenzamides. This practical reaction tolerates...

  高效，硝酸铁/ TEMPO催化合成喹唑啉酮的方法是通过伯醇与2-氨基苯甲酰胺的一锅串联串联好氧氧化环化反应而实现的。这种实际反应可以容忍...
• Electrochemical oxidative synthesis of 2-benzoylquinazolin-4(3<i>H</i>)-one <i>via</i> C(sp³)–H amination under metal-free conditions
  作者：Yongzhi Hu、Xinhua Ma、Huiqing Hou、Weiming Sun、Shuqing Tu、Mei Wu、Rongkun Lin、Xiuzhi Xu、Fang Ke

  DOI：10.1039/d1cy01230d

  日期：——

  induced C(sp3)–H amination of 2-aminobenzamides with ketones using TBAI as a catalyst was developed, and provided 2-benzoylquinazolin-4(3H)-ones under metal-free conditions. The reaction proceeded using the relatively low-toxicity methanol as the solvent, employed molecular oxygen as the ideal green oxidant in a simple undivided cell, and exhibited high atom economy. The mechanism of this C(sp3)–H amination

  开发了使用 TBAI 作为催化剂的 2-氨基苯甲酰胺与酮的电化学诱导 C(sp 3 )-H 胺化，并在无金属条件下提供了 2-苯甲酰基喹唑啉-4(3 H )-酮。该反应以毒性相对较低的甲醇为溶剂，采用分子氧作为理想的绿色氧化剂，在一个简单的未分体电池中进行，表现出较高的原子经济性。这种 C(sp 3 )-H 胺化策略的机制被认为涉及苯乙酮自由基的产生，并且它很容易进一步氧化形成 2-oxo-2-苯基乙醛。
• KOH/DMSO: A basic suspension for transition metal-free Tandem synthesis of 2,3-dihydroquinazolin-4(1H)-ones
  作者：Apurba Dutta、Krishnaiah Damarla、Ankur Bordoloi、Arvind Kumar、Diganta Sarma

  DOI：10.1016/j.tetlet.2019.05.030

  日期：2019.6

  A novel protocol for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzamides and aldehyde derivatives catalyzed by KOH/DMSO suspension has been developed. The present transition metal free methodology is operationally simple, scalable and varieties of 2,3-dihydroquinazolin-4(1H)-one derivatives were obtained in good to excellent yields in short reaction times.

  开发了一种新的协议，由2-氨基苯甲酰胺和由KOH / DMSO悬浮液催化的醛衍生物合成2,3-二氢喹唑啉-4（1 H）-酮。当前的无过渡金属方法是操作简单，可扩展的，并且在短的反应时间内以良好至优异的收率获得了各种2,3-二氢喹唑啉-4（1 H）-one衍生物。
• 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS
  申请人：SCHOENAFINGER Karl

  公开号：US20070072866A1

  公开（公告）日：2007-03-29

  The present invention relates to kinase inhibitor compounds and derivatives thereof as well as compositions comprising them for the treatment of neurological disorders such as Alzheimers' disease, Parkinsons' disease, obesity, hypertension and the like. These pyridazinone derivatives particularly inhibit the metabolic activity of glycogen synthase kinase —3β (GSK-3β) which is believed to cause the neurodegeneration that results in these diseases.

  本发明涉及激酶抑制剂化合物及其衍生物，以及包含它们的组合物，用于治疗诸如阿尔茨海默病、帕金森病、肥胖症、高血压等神经系统疾病。这些吡啶酮衍生物尤其抑制糖原合酶激酶-3β（GSK-3β）的代谢活性，据信这种活性导致了这些疾病的神经退行性变化。