2-硝基-正(1-苯乙基)苯甲酰胺 | 124264-90-0

• 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-硝基-正(1-苯乙基)苯甲酰胺
• 英文名称: 2-nitro-N-(1-phenylethyl)benzamide
• 英文别名: 2-Nitro-benzoesaeure-<1-phenyl-aethylamid>
• CAS: 124264-90-0
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: TYMCJGBVKJRKCM-UHFFFAOYSA-N

物化性质

• 熔点：
  161.5-162 °C
• 沸点：
  463.6±38.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Nitro-N-(1-phenylethyl)benzamide
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-Nitro-N-(1-phenylethyl)benzamide
CAS number: 124264-90-0

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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: C15H14N2O3
Molecular weight: 270.3

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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.

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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：

  2-硝基-正(1-苯乙基)苯甲酰胺 在 palladium on activated charcoal 氢气 作用下， 生成 2-氨基-N-(1-苯乙基)-苯甲酰胺
  参考文献：
  名称：

  Sirtuin Inhibiting Compounds

  摘要：

  本文提供了治疗或预防癌症和自身免疫疾病的组合物和方法。组合物包括抑制sirtuin的化合物，降低sirtuin的活性，如SIRT1或Sir2。示例方法包括将细胞或分子与抑制sirtuin的化合物接触，降低sirtuin的活性，从而缩短细胞的寿命，杀死细胞或使其对包括放射治疗和化疗在内的某些细胞应激变得敏感。其他方法包括治疗表达sirtuin的病原体。

  公开号：

  US20090137681A1
• 作为产物：
  描述：

  苏合香醇 、 2-硝基苯甲腈 在 1-丙基磷酸酐 作用下， 以 乙酸乙酯 为溶剂， 反应 3.0h， 以90%的产率得到2-硝基-正(1-苯乙基)苯甲酰胺
  参考文献：
  名称：

  在无溶剂条件下使用丙基膦酸酐 (T3P®) 从腈和醇合成 N-取代酰胺的创新方法

  摘要：

  摘要 使用丙基膦酸酐 (T3P®) 从腈和醇中开发了构建 N-取代酰胺衍生物的新型便捷方法。该方法是通过 Ritter 反应合成酰胺的另一种方法，这是从腈和醇合成 N-取代酰胺的经典方法之一。在这种方法中，首先 T3P® 激活醇，然后被腈攻击形成 N-取代酰胺。该方法也适用于二苯甲基醚的合成。这个开发的协议是 T3P® 的新应用之一。图形概要

  DOI：

  10.1080/00397911.2019.1616761

文献信息

• [EN] SIRTUIN INHIBITING COMPOUNDS<br/>[FR] COMPOSÉS INHIBANT LA SIRTUINE
  申请人：HARVARD COLLEGE

  公开号：WO2007084162A2

  公开（公告）日：2007-07-26

  [EN] Provided herein are compositions and methods for treating or preventing cancer and autoimmune diseases. Compositions comprise a sirtuin inhibitory compound that decreases the activity of a sirtuin, such as SIRTl or Sir2. Exemplary methods comprise contacting a cell or a molecule with a sirtuin inhibitory compound that decreases the activity of a sirtuin and thereby reduces the life span of a cell, kills the cell or renders it suspectible to certain cell stresses including radiation and chemotherapy. Other methods include treating pathogens expressing a sirtuin.
  [FR] La présente invention concerne des compositions et des procédés de traitement et de prévention du cancer et de maladies autoimmunes. Ces compositions comprennent un composé inhibiteur de sirtuine qui diminue l'activité d'une sirtuine, telle que SIRTI ou Dir2. Des procédés de l'invention consistent à mettre en contact une cellule ou une molécule avec un composé inhibiteur de sirtuine qui diminue l'activité d'une sirtuine, réduisant ainsi la durée de vie d'une cellule, tuant la cellule ou la rendant sensible à certains stress cellulaires, notamment au rayons et à la chimiothérapie. D'autres procédés consistent à traiter des pathogènes exprimant une sirtuine.
• Innovative approach for the synthesis of N-substituted amides from nitriles and alcohols using propylphosphonic anhydride (T3P^®) under solvent-free conditions
  作者：Hassan A. Swarup、Nagaraju Chaithra、Nagarakere C. Sandhya、Shobith Rangappa、Kempegowda Mantelingu、Kanchugarakoppal S. Rangappa

  DOI：10.1080/00397911.2019.1616761

  日期：2019.8.18

  developed from nitriles and alcohols using propylphosphonic anhydride (T3P®). This methodology is an alternate approach to the synthesis of amides via Ritter reaction, which is one of the classical methods for the synthesis of N-substituted amides from nitriles and alcohols. In this approach, first T3P® activates the alcohol which is then attacked by nitrile to form N-substituted amides. This methodology

  摘要 使用丙基膦酸酐 (T3P®) 从腈和醇中开发了构建 N-取代酰胺衍生物的新型便捷方法。该方法是通过 Ritter 反应合成酰胺的另一种方法，这是从腈和醇合成 N-取代酰胺的经典方法之一。在这种方法中，首先 T3P® 激活醇，然后被腈攻击形成 N-取代酰胺。该方法也适用于二苯甲基醚的合成。这个开发的协议是 T3P® 的新应用之一。图形概要
• Sirtuin Inhibiting Compounds
  申请人：Sinclair David A

  公开号：US20090137681A1

  公开（公告）日：2009-05-28

  Provided herein are compositions and methods for treating or preventing cancer and autoimmune diseases. Compositions comprise a sirtuin inhibitory compound that decreases the activity of a sirtuin, such as SIRT1 or Sir2. Exemplary methods comprise contacting a cell or a molecule with a sirtuin inhibitory compound that decreases the activity of a sirtuin and thereby reduces the life span of a cell, kills the cell or renders it susceptible to certain cell stresses including radiation and chemotherapy. Other methods include treating pathogens expressing a sirtuin.

  本文提供了治疗或预防癌症和自身免疫疾病的组合物和方法。组合物包括抑制sirtuin的化合物，降低sirtuin的活性，如SIRT1或Sir2。示例方法包括将细胞或分子与抑制sirtuin的化合物接触，降低sirtuin的活性，从而缩短细胞的寿命，杀死细胞或使其对包括放射治疗和化疗在内的某些细胞应激变得敏感。其他方法包括治疗表达sirtuin的病原体。