4-(1-哌啶基甲基)苯胺 | 29608-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(1-哌啶基甲基)苯胺
• 中文别名: 4-氨基-1-苄基哌啶；1-苄基-4-氨基哌啶；4-(哌啶-1-甲基)苯胺
• 英文名称: 1-(4-aminobenzyl)piperidine
• 英文别名: 4-piperidinomethyl-aniline；4-(piperidin-1-ylmethyl)aniline
• CAS: 29608-05-7
• 化学式: C₁₂H₁₈N₂
• mdl: MFCD03422516
• 分子量: 190.288
• InChiKey: DRYFDUUAYSVNSN-UHFFFAOYSA-N

物化性质

• 熔点：
  90-93
• 沸点：
  308.7±17.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 海关编码：
  2933399090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H319
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Piperidin-1-ylmethyl)aniline
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: 4-(Piperidin-1-ylmethyl)aniline
CAS number: 29608-05-7

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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: C12H18N2
Molecular weight: 190.3

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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：

  4-(1-哌啶基甲基)苯胺 在 吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 四丁基溴化铵 、 氢气 、 potassium acetate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 36.0h， 生成 N-[(3Z)-2-氧代-3-[苯基-[4-(哌啶-1-甲基)苯胺]亚甲基]-1H-吲哚-5-基]乙烷磺酰胺
  参考文献：
  名称：

  一锅法立体选择性构建 3-(氨基亚烷基) 羟吲哚：开发一种新颖、稳健且可规模化的尼达尼布多克规模制备工艺

  摘要：

  建立了一种钯催化的新型立体选择性 Heck/Buchwald-Hartwig 取代的N- (2-碘苯基)丙醇酰胺和胺的级联反应，以提供一系列具有良好收率的 3-(氨基亚烷基) 羟吲哚支架。此外，我们报告了一种稳健、可扩展且融合的方法的开发，从而合成了尼达尼布 ( 1 )。该方法的显着特点包括通过我们先进的 Heck/Buchwald-Hartwig 级联反应生产关键的羟吲哚中间体17 ，从而减少了合成步骤的数量。此外，我们的方法避免了所有合成步骤的昂贵的柱色谱纯化方法。此外，我们还公开了按照上述级联方法合成另一种激酶抑制剂橙皮素( 2 )的替代路线。

  DOI：

  10.1021/acs.oprd.3c00469
• 作为产物：
  描述：

  1-(氯甲基)-4-硝基苯 在 盐酸 、 tin 作用下， 以 甲苯 为溶剂， 反应 7.0h， 生成 4-(1-哌啶基甲基)苯胺
  参考文献：
  名称：

  新型脱羟基异喹啉衍生物对伯氏疟原虫的合成，β-血红素抑制研究和抗疟疾评价：一种有前途的抗疟药

  摘要：

  世界各地的许多人都受到疟疾的影响，并且该寄生虫正在发展对现有药物的抗药性。目前，异喹啉和N-叔丁基异喹啉是一些最有希望的抗疟疾候选药物，它们已经分别进入了I期和II期临床试验。然而，药效学研究表明，异喹对形成O-葡萄糖醛酸苷代谢物高度敏感，这可能会影响其在组织中的积累。避免O-葡糖醛酸苷的形成及其在积累过程中的负面影响，本文设计并制备了一系列新颖的五种脱羟基异喹啉衍生物作为潜在的抗疟剂。通过一个简单的三步程序，制备了五个脱羟基异喹啉，随后检查了对血红蛋白形成的抑制作用，后者是4-氨基喹啉的主要靶标。与CQ相比，四种衍生物在1.66至1.86μM的低IC 50值下均表现出显着的抑制活性。根据结果​​，随后针对伯氏疟原虫测试了这四种化合物小鼠ANKA模型，与被感染的小鼠具有显着的治愈反应和寄生虫抑制作用一样，具有与CQ一样的活性。另一方面，这四种化合物对鼠腹膜巨噬细胞和人红细胞显示出可接受的非

  DOI：

  10.1016/j.ejmech.2017.10.051
• 作为试剂：
  描述：

  3-(3-Nitrophenyl)cinnamic acid 、 草酰氯 、 N,N-二甲基甲酰胺 在 四氢呋喃 、 4-(1-哌啶基甲基)苯胺 、 三乙胺 、 水 、 乙酸乙酯 、 氯化钠 、 magnesium sulfate 、 (E)-N-[4-(piperidinomethyl)phenyl]-3-(3-nitrophenyl)cinnamamide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以to give (E)-N-[4-(piperidinomethyl)phenyl]-3-(3-nitrophenyl)cinnamamide (Compound 75) (0.65 g) as pale yellow crystals的产率得到(E)-N-[4-(piperidinomethyl)phenyl]-3-(3-nitrophenyl)cinnamamide
  参考文献：
  名称：

  US06166006

  摘要：

  公开号：

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP)<br/>[FR] PETITES MOLÉCULES INHIBITRICES DU PORE DE TRANSITION DE PERMÉABILITÉ MITOCHONDRIALE (MTPTP)
  申请人：UNIV KANSAS

  公开号：WO2016073633A1

  公开（公告）日：2016-05-12

  The present technology relates to compounds of any one of Formula I, II, IIa, III, IV, and/or V as described herein and their tautomers and/or pharmaceutically acceptable salts, compositions, and methods of uses thereof.

  目前的技术涉及到本文描述的任一式I、II、IIa、III、IV和/或V的化合物，以及它们的互变异构体和/或药用盐、组合物以及使用方法。
• Piperidinylamino-thieno[2,3-D] pyrimidine compounds
  申请人：Dhanoa S. Dale

  公开号：US20050222176A1

  公开（公告）日：2005-10-06

  The invention relates to 5-HT receptor modulators, particularly 5-HT 2B antagonists. Novel piperidinylamino-thieno [2,3-d] pyrimidine compounds represented by Formula I, II and III, and uses thereof for treating conditions including pulmonary arterial hypertension, congestive heart failure, and hypertension.

  这项发明涉及5-HT受体调节剂，特别是5-HT 2B 拮抗剂。公式I、II和III所代表的新型哌啶基氨基噻吩[2,3-d]嘧啶化合物，以及它们用于治疗包括肺动脉高压、充血性心力衰竭和高血压等疾病的用途。
• [EN] NOVEL PIPERIDINE COMPOUND<br/>[FR] NOUVEAU COMPOSE DE PIPERIDINE
  申请人：TANABE SEIYAKU CO

  公开号：WO2003099787A1

  公开（公告）日：2003-12-04

  The present invention provides a novel piperidine compound of the formula [I]: wherein Ring A represents an optionally substituted benzene ring, Ring B represents an optionally substituted benzene ring, R1 represents an optionally substituted alkyl group, an optionally substituted hydroxyl group, etc., or a group of the formula: (a) wherein R11 and R12 are the same or different, and each represents hydrogen atom, a substituted carbonyl group, a substituted sulfonyl group, an optionally substituted alkyl group, etc., R2 represents hydrogen atom, etc., Z represents oxygen atom or a group represented by -N(R3)-, R3 represents hydrogen atom or an alkyl group, etc., R4 represents hydrogen atom or an alkyl group, etc.,or a pharmaceutically acceptable salt thereof.

  本发明提供了一种新型哌啶化合物，其化学式为[I]：其中环A代表可选择取代的苯环，环B代表可选择取代的苯环，R1代表可选择取代的烷基团，可选择取代的羟基团等，或者化学式的一个基团：(a)其中R11和R12相同或不同，每个代表氢原子，取代的羰基团，取代的磺酰基团，可选择取代的烷基团等，R2代表氢原子等，Z代表氧原子或由-N(R3)-表示的基团，R3代表氢原子或烷基团等，R4代表氢原子或烷基团等，或其药学上可接受的盐。
• Syntheses and biological evaluation of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib
  作者：Yong-Tao Li、Jing-Han Wang、Cheng-Wen Pan、Fan-Fei Meng、Xiao-Qian Chu、Ya-hui Ding、Wen-Zheng Qu、Hui-ying Li、Cheng Yang、Quan Zhang、Cui-Gai Bai、Yue Chen

  DOI：10.1016/j.bmcl.2016.01.068

  日期：2016.3

  Three novel series of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib were prepared and evaluated in vitro for their cytostatic effects against a human chronic myeloid leukemia (K562), acute myeloid leukemia (HL60), and human leukemia stem-like cell line (KG1a). The structure–activity relationship was analyzed by determining the inhibitory rate of each imatinib analog. Benzene and piperazine

  制备了伊马替尼的三个新系列的1,2,3-三唑和1,3,4-恶二唑衍生物，并在体外评估了它们对人慢性髓性白血病（K562），急性髓性白血病（HL60）和人白血病干样细胞系（KG1a）。通过确定每种伊马替尼类似物的抑制率来分析结构与活性之间的关系。苯和哌嗪环是这些化合物中维持对K562和HL60细胞系抑制活性所必需的基团。引入三氟甲基基团显着增强了化合物对这两种细胞系的效力。出人意料的是，某些化合物对KG1a细胞显示出显着的抑制活性，而没有抑制常见的白血病细胞系（K562和HL60）。
• Pyrazole compounds
  申请人：——

  公开号：US20030060453A1

  公开（公告）日：2003-03-27

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  提供药物组合物和化合物。发明的化合物显示出抗增殖活性，并且可能促进缺乏正常细胞周期和死亡调控的细胞的凋亡。发明的一个实施例提供了化合物与生理可接受载体组合的药物组合物。该药物组合物可用于治疗过度增殖障碍，包括肿瘤生长、淋巴增殖性疾病、血管生成。发明的化合物是取代吡唑和吡唑啉。