4-(吡咯烷-1-羰基)苯胺 | 56302-41-1

• 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: 4-(吡咯烷-1-羰基)苯胺
• 中文别名: 4-吡咯烷酰基苯胺
• 英文名称: (4-aminophenyl)(pyrrolidin-1-yl)methanone
• 英文别名: N-(p-aminobenzoyl)pyrrolidine；4-carboxamidopyrrolidinophenyl-aniline；4-(Pyrrolidin-1-ylcarbonyl)aniline；(4-aminophenyl)-pyrrolidin-1-ylmethanone
• CAS: 56302-41-1
• 化学式: C₁₁H₁₄N₂O
• mdl: MFCD02046794
• 分子量: 190.245
• InChiKey: WDNQOCWBZBGFHU-UHFFFAOYSA-N

物化性质

• 熔点：
  181-183 °C
• 沸点：
  391.0±25.0 °C(Predicted)
• 密度：
  1.195±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Pyrrolidinocarbonyl)aniline
Synonyms: 4-(Pyrrolidin-1-ylcarbonyl)aniline

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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: 4-(Pyrrolidinocarbonyl)aniline
CAS number: 56302-41-1

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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: C11H14N2O
Molecular weight: 190.2

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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：

  4-(吡咯烷-1-羰基)苯胺 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 1-对氨基苄基吡咯烷
  参考文献：
  名称：

  Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors

  摘要：

  式(I)的化合物： 其中Ra、Rb、R、X1和X2如所定义，提供了包括所述化合物的药物组合物、制备过程和使用方法。

  公开号：

  US20090082379A1
• 作为产物：
  描述：

  对硝基苯甲酸 在 铁粉 、 氯化铵 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-(吡咯烷-1-羰基)苯胺
  参考文献：
  名称：

  高选择性FGFR2抑制剂

  摘要：

  本发明涉及一种高选择性FGFR2抑制剂及其制备方法和应用。本发明化合物用于治疗肿瘤(特别是实体肿瘤，例如例如肝内胆管癌、胃癌等)和其它紊乱失调。

  公开号：

  CN117466897A

文献信息

• [EN] SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDAZINECARBOXAMIDE SUBSTITUÉS UTILES EN TANT QUE COMPOSÉS INHIBITEURS DE KINASE
  申请人：XCOVERY INC

  公开号：WO2009154769A1

  公开（公告）日：2009-12-23

  Pyridazine derivatives have unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  吡啶并呋嗪衍生物作为蛋白激酶抑制剂具有意想不到的药物特性，并可用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• Indazole-derivatives as factor Xa inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1479675A1

  公开（公告）日：2004-11-24

  The present invention relates to compounds of the formulae I and Ib wherein R0 ; R1 ; R2 ;Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formulae I and Ib, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I和Ib的化合物 其中R0; R1; R2; Q; V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血液凝块酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于因子Xa和/或因子VIIa的不良活性存在或因子Xa和/或因子VIIa的抑制而打算治愈或预防的情况。此外，本发明还涉及制备式I和Ib的化合物的方法，它们的用途，特别是作为药物中的活性成分，并包括它们的制药制剂。
• Fused heterocyclic compounds useful as kinase modulators
  申请人：Vaccaro Wayne

  公开号：US20070078136A1

  公开（公告）日：2007-04-05

  Compounds having the formula (1), and enantiomers, and diastereomers, pharmaceutically-acceptable salts, thereof, are usefuil as kinase modulators, including MK2 modulation, wherein one of E and F is a nitrogen atom and the other of E and F is a carbon atom, Z is N or CR 3 , and R 1 , R 2 , R 3 , X and Y are as defined herein.

  具有化学式（1）的化合物，以及其对映体、非对映体、药用可接受的盐，可用作激酶调节剂，包括MK2调节，其中E和F中的一个是氮原子，另一个是碳原子，Z是N或CR3，R1、R2、R3、X和Y如本文所定义。
• 一种催化氧化羰基化合成不对称二取代脲的 方法
  申请人：南京师范大学

  公开号：CN107417478B

  公开（公告）日：2020-05-05

  本发明公开了一种直接合成不对称二取代脲类化合物的新方法，在溶剂聚乙二醇或聚乙二醇的水溶液中，在碱、碘化物和氧化剂的作用下，加入钯催化剂，催化伯胺与一氧化碳的直接交叉偶联反应制备不对称二取代脲类化合物。本发明的偶联反应制备不对称二取代脲类化合物的方法，具有具有氧化剂来源广泛和环境友好；底物来源广泛、廉价和易于处理；羰基源稳定、廉价和不产生废物；反应无需配体且活性好；反应条件温和且选择性高；底物官能团相容性好且底物的适用范围广；反应介质绿色且可以循环回收的优势。在优化的反应条件之下，目标产品分离收率可高达97％左右。
• Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology
  作者：Niels J. Hauwert、Tamara A. M. Mocking、Daniel Da Costa Pereira、Albert J. Kooistra、Lisa M. Wijnen、Gerda C. M. Vreeker、Eléonore W. E. Verweij、Albertus H. De Boer、Martine J. Smit、Chris De Graaf、Henry F. Vischer、Iwan J. P. de Esch、Maikel Wijtmans、Rob Leurs

  DOI：10.1021/jacs.7b11422

  日期：2018.3.28

  precision are in great demand. Photopharmacology uses photons to control in situ the biological properties of photoswitchable small-molecule ligands, which bodes well for chemical biological precision approaches. Integrating the light-switchable configurational properties of an azobenzene into the ligand core, we developed a bidirectional antagonist toolbox for an archetypical family A GPCR, the histamine

  非常需要以时间和空间精度调节 G 蛋白偶联受体 (GPCR) 的无创方法。光药理学使用光子来原位控制光可切换小分子配体的生物学特性，这预示着化学生物学精密方法的发展。将偶氮苯的光控构型特性整合到配体核心中，我们为原型 A GPCR 家族（组胺 H3 受体 (H3R)）开发了双向拮抗剂工具箱。从 16 种新合成的光可开关化合物中，选择了 VUF14738 (28) 和 VUF14862 (33)，因为它们在 360 nm 照射下迅速且可逆地发生光异构化，并且 H3R 结合亲和力分别增加或减少了 10 倍以上。两种配体都将长热半衰期与快速和高光化学反式/顺式转换相结合，允许它们用于卵母细胞的实时电生理学实验，以确认在重复的二级循环中 H3R 活化的动态光调制。VUF14738 和 VUF14862 是稳健且抗疲劳的光开关 GPCR 拮抗剂，适用于 H3R 信号传导的时空研究。