N-tert-Butyl-α-(4-pyridyl-1-oxide)nitrone(POBN) - ≥98%(HPLC) , CAS No.66893-81-0

CAS: 66893-81-0 Cat. No.: N159635 Peso molecular: 194.23

GRADE & PURITY ≥98%(HPLC)

Synonyms

POBN | AS-55806 | DTXSID60217036 | N-TERT-BUTYL-.ALPHA.-(4-PYRIDYL-1-OXIDE) NITRONE | tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxoazanium | (Z)-2-methyl-N-((1-oxidopyridin-4-yl)methylene)propan-2-amine oxide | AKOS025394798 | HY-114713 | 2140SM8Q5O |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

POBN | AS-55806 | DTXSID60217036 | N-TERT-BUTYL-.ALPHA.-(4-PYRIDYL-1-OXIDE) NITRONE | tert-butyl-[(1-oxidopyridin-4-ylidene)methyl]-oxoazanium | (Z)-2-methyl-N-((1-oxidopyridin-4-yl)methylene)propan-2-amine oxide | AKOS025394798 | HY-114713 | 2140SM8Q5O |

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[N+](=CC1=CC=[N+](C=C1)[O-])[O-]
• IUPAC Name: N-tert-butyl-1-(1-oxidopyridin-1-ium-4-yl)methanimine oxide
• InChIKey: RNRMWTCECDHNQU-WQLSENKSSA-N
• INCHI: 1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-
• Isómeros SMILES: CC(C)(C)/[N+](=C/C1=CC=[N+](C=C1)[O-])/[O-]
• WGK Alemania: 3
• Peso molecular: 194.23
• Reaxy-Rn: 1453764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1453764&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Shiff bases Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Nitrone - Shiff base - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency;solubility water: soluble 10 mg/mL, clear, colorless to faintly yellow
• Sensibilidad: Heat sensitive;Light sensitive
• Punto de fusión (°C): 183-185°C
• Peso molecular: 194.230 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.106 Da
• Monoisotopic Mass: 194.106 Da
• Topological Polar Surface Area: 54.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Yu Chen, Xiaodi Hao, Zhentan Lu, Dong Wang.  (2023)  Near-IR-Regulated Composite Hydrogel with Real-Time Infection Monitoring and a Combined Antibacterial Effect for Efficient Wound Management.  ACS Applied Materials & Interfaces,      [PMID:37584530] [10.1021/acsami.3c08259]

2. Hongkai Xie, Hui Chen, Linrui Yuechen, Fengjiao Fan.  (2022)  Effects of Different Antioxidants of Bamboo Leaves Treatments on Lipid Oxidation of Scallop (Argopecten irradians) Adductor Muscle During Hot Air Drying.  Journal of Aquatic Food Product Technology,      [PMID:] [10.1080/10498850.2022.2119910]

3. Hongkai Xie, Chenlinrui Yue, Fengjiao Fan.  (2022)  Different tea polyphenol treatments on lipid oxidation of scallop (Argopecten irradians) adductor muscle during hot air drying.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  46  (6): (e16534).  [PMID:] [10.1111/jfpp.16534]

4. Dan Xu, Jianfeng Li, Boyang Li, Huacheng Zhao, Hanghang Zhu, Jinfang Kou, Fengwei Zhang, Zhengping Dong, Jiantai Ma.  (2022)  Selective oxidation of alcohols to high value-added carbonyl compounds using air over Co-Co3O4@NC catalysts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134545]

5. Shenyu Lan, Jinxi Feng, Ya Xiong, Shuanghong Tian, Shengwei Liu, Lingjun Kong.  (2017)  Performance and Mechanism of Piezo-Catalytic Degradation of 4-Chlorophenol: Finding of Effective Piezo-Dechlorination.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:28447779] [10.1021/acs.est.6b06426]

6. Zixiong Song, Ying Jing, Xiaoxiao Wei, Haizhen Li, Jianhua Xie, Mingyue Shen.  (2025)  Mechanistic insights into advanced glycation end products production in glucose-lysine model system involved with ascorbic acid.  FOOD CHEMISTRY,      [PMID:39914352] [10.1016/j.foodchem.2025.143178]

7. Guan Meng, Cheng Kai, Xie Xiao-Ting, Li Yong, Ma Meng-Wen, Zhang Bin, Chen Si, Chen Wei, Liu Bo, Fan Jin-Xuan, Zhao Yuan-Di.  (2024)  Regulating copper homeostasis of tumor cells to promote cuproptosis for enhancing breast cancer immunotherapy.  Nature Communications,  15  (1): (1-17).  [PMID:39567558] [10.1038/s41467-024-54469-7]

8. Meng Dong, Feng Liang, Shuang Cui, Bing-Bing Mao, Xu-Hui Huang, Lei Qin.  (2023)  Insights into the effects of steaming on organoleptic quality of salmon (Salmo salar) integrating multi-omics analysis and electronic sensory system.  FOOD CHEMISTRY,      [PMID:37741235] [10.1016/j.foodchem.2023.137372]