2-氨基-N-环丙基苯甲酰胺 | 30510-67-9

• 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-N-环丙基苯甲酰胺
• 英文名称: 2-amino-N-cyclopropylbenzamide
• CAS: 30510-67-9
• 化学式: C₁₀H₁₂N₂O
• mdl: MFCD03015446
• 分子量: 176.218
• InChiKey: YGCVNEQVUUMKJL-UHFFFAOYSA-N

物化性质

• 沸点：
  389.5±25.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090
• 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-N-cyclopropylbenzamide
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-N-cyclopropylbenzamide
CAS number: 30510-67-9

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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: C10H12N2O
Molecular weight: 176.2

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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-氨基-N-环丙基苯甲酰胺 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 2-((cyclopropylamino)methyl)aniline
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS
  [FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEUR UTILISATION COMME AGENTS ANTIVIRAUX

  摘要：

  该发明提供了以下化合物的公式(I)：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12如规范中所定义，并且其光学异构体、拉丁酸盐和互变异构体，以及其药学上可接受的盐；以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的使用。这些化合物在呼吸道合胞病毒（RSV）的治疗中很有用。

  公开号：

  WO2010103306A1
• 作为产物：
  描述：

  N-环丙基-2-硝基苯甲酰胺 在 甲醇 、 铁粉 、 氯化铵 作用下， 以 水 为溶剂， 反应 2.0h， 生成 2-氨基-N-环丙基苯甲酰胺
  参考文献：
  名称：

  Design and synthesis of diphenylpyrimidine derivatives (DPPYs) as potential dual EGFR T790M and FAK inhibitors against a diverse range of cancer cell lines

  摘要：

  A new class of pyrimidine derivatives were designed and synthesized as potential dual FAK and EGFR(T79)(0M) inhibitors using a fragment-based drug design strategy. This effort led to the identification of the two most active inhibitors, namely 9a and 9f, against both FAK (IC50, = 1.03 and 3.05 nM, respectively) and EGFR(T79)(0M) (IC50 = 3.89 and 7.13 nM, respectively) kinase activity. Moreover, most of these compounds also exhibited strong antiproliferative activity against the three evaluated FAK-overexpressing pancreatic cancer (PC) cells (AsPC-1, BxPC-3, Panc-1) and two drug-resistant cancer cell lines (breast cancer MCF-7/adr cells and lung cancer H1975 cells) at concentrations lower than 6.936 mu M. In addition, 9a was also effective in the in vivo assessment conducted in a FAK-driven human AsPC-1 cell xenograft mouse model. Overall, this study offers a new insight into the treatment of hard to treat cancers.

  DOI：

  10.1016/j.bioorg.2019.103408

文献信息

• [EN] RESPIRATORY SYNCYTIAL VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：MEDIVIR AB

  公开号：WO2015065336A1

  公开（公告）日：2015-05-07

  Compounds of Formula (I): wherein R1, R2 and R3 are defined herein, are useful as inhibitors of RSV.

  式(I)的化合物：其中R1、R2和R3如本文所定义，可用作RSV的抑制剂。
• Efficient synthesis of 6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione derivatives catalyzed by functionalized nanoporous silica
  作者：Ayeh Rayatzadeh、Sirous Haghipour

  DOI：10.1007/s00706-020-02720-4

  日期：2021.1

  An efficient and facile method has been developed for the synthesis of various 6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione derivatives, via a three-component reaction of 2-amino-N-(R)-benzamide derivatives with 2-formylbenzoic acid using sulfonic acid functionalized nanoporous silica as an efficient catalyst in ethanol under reflux. High yield of the desired products, reusability of the catalyst

  有效和容易的方法已被开发用于合成各种6,6-一个-dihydroisoindolo [2,1-一个]喹唑啉-5,11-二酮衍生物，通过2-氨基-三组分反应ñ - （R磺酸官能化的纳米多孔二氧化硅作为乙醇中回流的有效催化剂，用2-甲酰基苯甲酸生成）-苯甲酰胺衍生物。该方法的优点是所需产物的高收率，催化剂的可重复使用性以及不使用色谱法的轻松后处理步骤。 图形摘要
• Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents
  申请人：——

  公开号：US20030207868A1

  公开（公告）日：2003-11-06

  The present invention concerns antiviral compounds, their methods of preparation and their compositions, and use in the treatment of viral infections. More particularly, the invention provides heterocyclic substituted 2-methylbenzimidazole derivatives for the treatment of respiratory syncytial virus infection.

  本发明涉及抗病毒化合物，其制备方法及其组合物，以及在治疗病毒感染中的应用。更具体地，该发明提供了用于治疗呼吸道合胞病毒感染的杂环取代2-甲基苯并咪唑衍生物。
• An efficient one pot synthesis of 2-amino quinazolin-4(3 H )-one derivative via MCR strategy
  作者：V. Narayana Murthy、Satish P. Nikumbh、S. Praveen Kumar、L. Vaikunta Rao、Akula Raghunadh

  DOI：10.1016/j.tetlet.2015.08.040

  日期：2015.10

  multi-component reaction strategy was developed for the construction of important building blocks, 2-amino 3-substituted quinazolinone derivatives from isatoic anhydride and amine with electrophilic cyanating compound, N-cyano-4-methyl-N-phenylbenzenesulfonamide (NCTS). The quinazolinone synthesis proceeds via a sequential series of reactions such as nucleophilic attack of the amine group on the carbonyl group

  开发了一种新颖的多组分反应策略，用于构造重要的结构单元，由异酸酐和胺与亲电子氰化化合物，N-氰基-4-甲基-N-苯基苯磺酰胺（NCTS）合成的2-氨基3-取代的喹唑啉酮衍生物。喹唑啉酮的合成是通过一系列连续的反应进行的，例如胺基对等酸酐的羰基的亲核攻击，然后开环和随后的脱羧，胺对腈的亲核攻击，然后杂环化。
• Palladium-Catalyzed Oxidative Three-Component Coupling of Anthranilamides with Isocyanides and Arylboronic Acids: Access to 2,3-Disubstituted Quinazolinones
  作者：Chun Qian、Kui Liu、Shou-Wei Tao、Fang-Ling Zhang、Yong-Ming Zhu、Shi-Lin Yang

  DOI：10.1021/acs.joc.8b01218

  日期：2018.8.17

  A novel palladium-catalyzed oxidative three-component coupling of easily accessible N-substituted anthranilamides with isocyanides and arylboronic acids is achieved. This protocol offers an alternative approach toward 2,3-disubstituted quinazolinones with a wide substrate scope and good functional group tolerance.

  实现了易于获得的N-取代邻氨基苯甲酰胺与异氰化物和芳基硼​​酸的新型钯催化的氧化三组分偶联。该协议为具有较宽的底物范围和良好的官能团耐受性的2，3-二取代的喹唑啉酮提供了另一种方法。