2-哌啶基-1-苯甲醛 | 34595-26-1

• 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 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-哌啶基-1-苯甲醛
• 中文别名: 2-哌啶-苯甲醛
• 英文名称: 2-(piperidin-1-yl)benzaldehyde
• 英文别名: 2-piperidinobenzaldehyde；2-(1-piperidinyl)benzaldehyde；2-piperidin-1-ylbenzaldehyde
• CAS: 34595-26-1
• 化学式: C₁₂H₁₅NO
• mdl: MFCD03419311
• 分子量: 189.257
• InChiKey: SMABIQIPGVQEEX-UHFFFAOYSA-N

物化性质

• 熔点：
  95 °C(Solv: ethanol (64-17-5))
• 沸点：
  143 °C(Press: 1.0 Torr)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 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，惰性气体氛围

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Piperidinobenzaldehyde
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
H412: Harmful to aquatic life with long lasting effects
P273: Avoid release to the environment
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Piperidinobenzaldehyde
CAS number: 34595-26-1

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12H15NO
Molecular weight: 189.3

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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-哌啶基-1-苯甲醛 在 palladium on activated charcoal titanium(IV) isopropylate 、 盐酸 、 四氯化碳 、 sodium hydroxide 、 氢气 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 、 乙腈 为溶剂， 25.0~100.0 ℃ 、500.0 kPa 条件下， 反应 84.0h， 生成 瑞格列奈
  参考文献：
  名称：

  瑞格列奈和相关的降血糖苯甲酸衍生物。

  摘要：

  研究了两个系列的降血糖苯甲酸衍生物（5、6）的构效关系。当2-甲氧基被亚烷基亚氨基残基取代时，系列5由美格替宁（3）产生。用顺式3、5-二甲基哌啶子基（5h）和八亚甲基亚氨基（5l）残基观察到最大活性。当将2-甲氧基，5-氟和α-甲基残基替换为2-哌啶子基，5-氢和较大的α-烷基残基时，具有反向酰胺基功能的meglitinide类似物4产生6系列， 分别。羧基邻位的烷氧基残基进一步增加了大鼠的活性和作用时间。最具活性的外消旋化合物6al（R4 =异丁基； R =乙氧基）的活性比磺酰脲（SU）格列本脲（1）高12倍。发现活性主要存在于（S）-对映异构体中。与SUs 1和2（格列美脲）相比，活性最高的对映异构体（S）-6al（AG-EE 623 ZW;瑞格列奈; ED50 = 10 micro / kg po）活性高25和18倍。瑞格列奈对2型糖尿病患者是一种有用的治疗药物。FDA和EMEA最

  DOI：

  10.1021/jm9810349
• 作为产物：
  描述：

  2-(1-哌啶基)苯甲腈 在 甲酸 、 镍 作用下， 以62%的产率得到2-哌啶基-1-苯甲醛
  参考文献：
  名称：

  瑞格列奈和相关的降血糖苯甲酸衍生物。

  摘要：

  研究了两个系列的降血糖苯甲酸衍生物（5、6）的构效关系。当2-甲氧基被亚烷基亚氨基残基取代时，系列5由美格替宁（3）产生。用顺式3、5-二甲基哌啶子基（5h）和八亚甲基亚氨基（5l）残基观察到最大活性。当将2-甲氧基，5-氟和α-甲基残基替换为2-哌啶子基，5-氢和较大的α-烷基残基时，具有反向酰胺基功能的meglitinide类似物4产生6系列， 分别。羧基邻位的烷氧基残基进一步增加了大鼠的活性和作用时间。最具活性的外消旋化合物6al（R4 =异丁基； R =乙氧基）的活性比磺酰脲（SU）格列本脲（1）高12倍。发现活性主要存在于（S）-对映异构体中。与SUs 1和2（格列美脲）相比，活性最高的对映异构体（S）-6al（AG-EE 623 ZW;瑞格列奈; ED50 = 10 micro / kg po）活性高25和18倍。瑞格列奈对2型糖尿病患者是一种有用的治疗药物。FDA和EMEA最

  DOI：

  10.1021/jm9810349

文献信息

• 2-Amino-quinazolin-5-ones
  申请人：Bellamacina R. Cornelia

  公开号：US20070027150A1

  公开（公告）日：2007-02-01

  2-Amino-quinazolin-5-one compounds, stereoisomers, tautomers, pharmaceutically acceptable salts, and prodrugs thereof; compositions that include a pharmaceutically acceptable carrier and one or more of the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent. Methods of using the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of cell proliferative diseases.

  2-氨基喹唑啉-5-酮化合物，立体异构体，互变异构体，药学上可接受的盐及其前药；包括药学上可接受的载体和一种或多种2-氨基喹唑啉-5-酮化合物的组合物，可以单独使用或与至少一种额外治疗剂结合使用。使用2-氨基喹唑啉-5-酮化合物的方法，可以单独使用或与至少一种额外治疗剂结合使用，用于预防或治疗细胞增殖性疾病。
• [EN] CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME<br/>[FR] COMPOSÉS CARBAMATES ET LEUR PROCÉDÉ DE FABRICATION ET D'UTILISATION
  申请人：ABIDE THERAPEUTICS

  公开号：WO2013142307A1

  公开（公告）日：2013-09-26

  Provided herein are carbamate compounds which may be useful in the treatment of, for example, pain, solid tumors and/or obesity.

  本文提供的是可能在治疗疼痛、实体肿瘤和/或肥胖等方面有用的氨基甲酸酯化合物。
• Novel chiral tetraaza ligands: synthesis and application in asymmetric transfer hydrogenation of ketones
  作者：Wei-Yi Shen、Hui Zhang、Hua-Lin Zhang、Jing-Xing Gao

  DOI：10.1016/j.tetasy.2007.03.013

  日期：2007.4

  Novel chiral tetraaza ligands, N1,N2-bis(2-(piperidin-1-yl)benzylidene)cyclohexane-1,2-diamine 1 and N1,N2-bis(2-(piperidin-1-yl)benzyl)cyclohexane-1,2-diamine 2, have been synthesized and fully characterized by analytical and spectroscopic methods. The structure of (R,R)-1 has been established by X-ray crystallography. Asymmetric transfer hydrogenation of aromatic ketones with the catalysts prepared

  新型手性四氮杂配体N 1，N 2-双（2-（哌啶-1-基）亚苄基）环己烷-1,2-二胺1和N 1，N 2-双（2-（哌啶-1-基）已经合成了苄基）环己烷-1，2-二胺2，并通过分析和光谱方法对其进行了全面表征。（R，R）-1的结构已经通过X射线晶体学确定。用[IrHCl 2（COD）] 2原位制备的催化剂对芳族酮进行不对称转移加氢 在2-丙醇中的手性四氮杂配体在温和的反应条件下以较高的转化率和良好的ee（高达91％）得到了相应的旋光仲醇。
• Platinum/Scandium-Cocatalyzed Cascade Cyclization and Ring-Opening Reaction of Tertiary Amines with Substituted Salicylaldehydes to Synthesize 3-(Aminoalkyl)coumarins
  作者：Xiao-Feng Xia、Xing-Zhong Shu、Ke-Gong Ji、Ali Shaukat、Xue-Yuan Liu、Yong-Min Liang

  DOI：10.1021/jo102219z

  日期：2011.1.7

  oxidative dehydrogenation of α,β-C(sp3)−H bonds of tertiary amines in the presence of ambient oxygen followed by reactions with substituted salicylaldehydes is revealed. The in situ formed enamines reacted with various salicylaldehydes, which resulted in the development of a one-pot synthetic protocol involving aldol reaction, cyclization, and then ring-opening.

  揭示了3-（氨基烷基）香豆素的合成，其在环境氧存在下由叔胺的α，β-C（sp 3）-H键经铂/ scan共催化氧化脱氢，然后与取代的水杨醛反应。原位形成的烯胺与各种水杨醛反应，从而导致了涉及一羟醛反应，环化和开环的一锅合成方案的发展。
• NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20180258076A1

  公开（公告）日：2018-09-13

  The present invention relates to a novel imidazole compound or a pharmaceutically acceptable salt thereof having a melanocortin receptor agonistic activity, and medical use thereof. The present invention relates to an imidazole compound represented by general formula [I] [wherein: Ring A represents an optionally substituted aryl group or the like; R 1 represents a hydrogen atom, an optionally substituted alkyl group, or the like; R 2 represents a hydrogen atom, a halogen atom, or the like; and R 3 represents an optionally substituted alkyl group] or a pharmaceutically acceptable salt thereof.

  本发明涉及一种具有黑皮质素受体激动活性的新型咪唑化合物或其药用可接受盐，以及其医疗用途。本发明涉及由通式[I]表示的咪唑化合物 [其中：环A代表一个可选地取代的芳香族基团等；R1代表一个氢原子，一个可选地取代的烷基团等；R2代表一个氢原子，一个卤素原子等；R3代表一个可选地取代的烷基团]或其药用可接受盐。