960化工网
Lactoyl-CoA 全氟丁基戊烷 白叶藤碱 全氟己基辛烷 新白叶藤碱 壳寡糖 特色专题-生物多肽
  1. 960化工网
  2. 化工百科
  3. 化学试剂
  4. 1-醛基哌啶-4-甲酸 | 84163-42-8

84163-42-8 (1-醛基哌啶-4-甲酸,1-Formylpiperidine-4-carboxylic Acid)

快速询单
结构式：
1-醛基哌啶-4-甲酸结构式图片|84163-42-8结构式图片
1-醛基哌啶-4-甲酸MOL文件
CAS号：
84163-42-8
中文名称：
1-醛基哌啶-4-甲酸
英文名称：
1-Formylpiperidine-4-carboxylic Acid
安全信息：
分子式：
C7H11NO3
分子量：
157.167142152786
相关分类：
其他 > 化学试剂
溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Piperidines > Piperidinecarboxylic acids and derivatives > Piperidinecarboxylic acids
溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Piperidines > Piperidinecarboxylic acids
化学连接 | 其它合成试剂

1-醛基哌啶-4-甲酸(84163-42-8)名称与标识符

名称

中文别名：
1-醛基哌啶-4-甲酸;1-甲酰-4-哌啶羧酸;1-Formyl-4-piperidinecarboxylic Acid 1-甲酰-4-哌啶羧酸;1-甲酰基-哌啶-4-羧酸;N-甲酰基-4-哌啶甲酸;1-甲酰基-4-哌啶羧酸;
英文别名：
1-FORMYL-PIPERIDINE-4-CARBOXYLIC ACID;1-Formyl-4-piperidinecarboxylic Acid;1-formylpiperidine-4-carboxylic acid;4-Piperidinecarboxylicacid, 1-formyl-;1-Formylisonipecotic Acid;1-Formyl-piperidin-4-carbonsaeure;n-formylisonipecotic acid;4-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-;1-Formyl-piperidine-4-carboxylic ac;1-FORMYL-PIPERIDINE-4-CARBOXYLICACID;N-formyl isonipecotic acid;IZNTWTMLHCGAJU-UHFFFAOYSA-N;BCP12736;SBB053321;0374AF;1-Formyl-4-piperidinecarboxylic acid (ACI);Isonipecotic acid, 1-formyl- (6CI);1-formyl-piperidine-4-carboxylic acid, AldrichCPR;AKOS010054620;PB20033;CS-W010915;MFCD03425206;F0749;SY050568;4-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, (+)-;AS-37801;84163-42-8;SCHEMBL1712428;DTXSID00374697;67659-33-0;DB-076001;

标识符

MDL：
MFCD03425206
InChIKey：
IZNTWTMLHCGAJU-UHFFFAOYSA-N
Inchi：
1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
SMILES：
O=CN1CCC(C(O)=O)CC1

1-醛基哌啶-4-甲酸(84163-42-8)物化性质

实验特性

  • LogP : 0.51320
  • PSA : 57.61000
  • 折射率 : 1.591
  • 沸点 : 377.8°C at 760 mmHg
  • 熔点 : 136.0 to 140.0 deg-C
  • 蒸气压 : 0.0±1.8 mmHg at 25°C
  • 闪点 : 182.3ºC
  • 溶解度 : 溶解 (36 g/L) (25 ºC),
  • 颜色与性状 : Solid
  • 密度 : 1.350±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 157.07400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 157.074
  • 重原子数量 : 11
  • 复杂度 : 161
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值（XlogP） : -0.2
  • 拓扑分子极性表面积 : 57.6

1-醛基哌啶-4-甲酸(84163-42-8)海关数据

海关编码：
2933399090
海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-醛基哌啶-4-甲酸(84163-42-8)合成路线

合成路线：1 步
64-18-6
498-94-2
95%
84163-42-8
反应条件：
参考文献：
A simple and efficient method for the synthesis of 1,2-benzisoxazoles. A series of its potent acetylcholinesterase inhibitors
Basappa; Mantelingu, K.; Sadashiva, M. P.; Rangappa, K. S., Indian Journal of Chemistry, 2004, (9), 1954-1957
合成路线：1 步
498-94-2
64-18-6
84%
84163-42-8
反应条件：
参考文献：
Design and Straightforward Synthesis of Novel N-substituted 6-Fluoro-3-(piperidin-4-yl)-1,2-benzoxazole Derivatives and Their Antibacterial Activity
Garlapati, Krishna Kanth; Ganta, Ravi Kumar; Kumar, K. Siva; Srinivasu, N., Russian Journal of Organic Chemistry, 2023, 59(1), 190-195
合成路线：1 步
498-94-2
71-47-6
44%
84163-42-8
反应条件：
参考文献：
Synthesis of 4-aminopiperidine
Yakhontov, L. N.; Yatsenko, S. V.; Rubtsov, M. V., Zhurnal Obshchei Khimii, 1958, 28, 3115-19
合成路线：1 步
498-94-2
124-38-9
32%
84163-42-8
反应条件：
参考文献：
Tin-catalyzed reductive coupling of amines with CO2 and H2
Paparakis, Alexandros; Turnell-Ritson, Roland C.; Sapsford, Joshua S.; Ashley, Andrew E.; Hulla, Martin, Catalysis Science & Technology, 2023, 13(3), 637-644
合成路线：1 步
498-94-2
64-18-6
84163-42-8
反应条件：
参考文献：
Synthesis of related substances of antipsychotic drug Risperidone
Gupta, Poonam, Pharma Innovation, 2021, 10(11), 99-104
合成路线：1 步
498-94-2
64-18-6
84163-42-8
反应条件：
参考文献：
Reformulating a Pharmacophore for 5-HT2A Serotonin Receptor Antagonists
Younkin, Jason; Gaitonde, Supriya A.; Ellaithy, Amr; Vekariya, Rakesh; Baki, Lia; et al, ACS Chemical Neuroscience, 2016, 7(9), 1292-1299
合成路线：1 步
498-94-2
64-18-6
84163-42-8
反应条件：
参考文献：
Synthesis of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole amino acid derivatives and anti-DNA damaging activity
Ranganatha, S. R.; Vinaya, K.; Chandrappa, S.; Kumar, C. S. Ananda; Prasad, B. Benaka; et al, International Journal of Drug Design and Discovery, 2010, 1(1), 57-64
合成路线：1 步
2258-42-6
498-94-2
84163-42-8
参考文献：
Synthesis and neuroleptic activity of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles
Strupczewski, Joseph T.; Allen, Richard C.; Gardner, Beth Ann; Schmid, Blaine L.; Stache, Ulrich; et al, Journal of Medicinal Chemistry, 1985, 28(6), 761-9

1-醛基哌啶-4-甲酸(84163-42-8)参考资料

Reaxys RN：
130016
Beilstein：
22(4)137
PubChem CID：
125307603

1-醛基哌啶-4-甲酸(84163-42-8) MSDS

基础信息

  1-Formyl-4-piperidinecarboxylic Acid      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        1-Formyl-4-piperidinecarboxylic Acid    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        1-Formyl-4-piperidinecarboxylic Acid    
  Percent:        >95.0%(GC)(T)    
  CAS Number:        84163-42-8    
  Synonyms:        1-Formylisonipecotic Acid    
    C7H11NO3
  Chemical Formula:
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  1-Formyl-4-piperidinecarboxylic Acid
Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Almost white    
    No data available
  Odour:
  1-Formyl-4-piperidinecarboxylic Acid
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:138°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  1-Formyl-4-piperidinecarboxylic Acid
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.合成路线 8.参考资料 9.1-醛基哌啶-4-甲酸 MSDS
相关化合物
117705-17-6(4-甲基哒嗪) 1000932-09-1(1-甲基-2-氧代哌啶-4-羧酸) 926238-85-9(1-(3-甲基丁酰基)哌啶-4-羧酸) 25503-90-6(1-乙酰基-4-哌啶甲酸) 496057-38-6(3-哌啶羧酸，1-甲酰基-（9CI）) 799-87-1(对苯二酚硫酸钾) 800401-52-9(5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid) 800401-92-7(800401-92-7)
结构相似化合物
问答
您可能关注的化合物
54353-24-1 54140-17-9 58019-50-4 5976-47-6 58871-11-7 57475-17-9 520-40-1 53391-62-1 5205-11-8 554-05-2 596-69-0 5432-53-1 5698-29-3 52663-69-1 52610-09-0 516-53-0 598-45-8 59309-86-3 53459-39-5 55088-52-3 55462-93-6 58555-74-1 55486-13-0 54210-32-1 59779-08-7 50787-09-2 58785-63-0 56933-74-5 51806-23-6 54766-53-9
© 2008-2025 南京九六零网络科技有限公司 版权所有 营业执照公示
粤ICP备2021105330号-3 公安机关备案号32010502010001 苏公网安备32011202001462号 法律声明