4-Pyrrolidinopyridine - ≥98% , CAS No.2456-81-7

CAS: 2456-81-7 Cat. No.: P121075 Molecular Weight: 148.2 Beilstein Registry Number: 472443 EC Number: 219-534-2

GRADE & PURITY ≥98%

Synonyms

W-107303 | 4-(1-pyrrolidino)pyridine | 4-pyrrollidinopyridine | S-BENZYL O,O-DIISOPROPYL PHOSPHOROTHIOATE | AKOS003884368 | BP-20215 | 4-(Pyrrolidin-1-yl)pyridine | O11284 | PB42375 | 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea | 4-Pyrrolidinopyridin

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Catalyst employed in polymerization reactions. Ligand in metal complexes.

Specifications

Synonyms

W-107303 | 4-(1-pyrrolidino)pyridine | 4-pyrrollidinopyridine | S-BENZYL O, O-DIISOPROPYL PHOSPHOROTHIOATE | AKOS003884368 | BP-20215 | 4-(Pyrrolidin-1-yl)pyridine | O11284 | PB42375 | 1-(6-methoxy-1, 3-benzothiazol-2-yl)-3-phenylurea | 4-Pyrrolidinopyridin

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185130
• Canonical Smiles: C1CCN(C1)C2=CC=NC=C2
• IUPAC Name: 4-pyrrolidin-1-ylpyridine
• InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2
• Isomeric SMILES: C1CCN(C1)C2=CC=NC=C2
• WGK Germany: 3
• Molecular Weight: 148.2
• Beilstein: 472443
• Reaxy-Rn: 472443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472443&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Pyrrolidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 3 g/l 20 °C; Very soluble in Benzene,1,2-Dichloroethane,Acetone,Methanol,Chloroform
• Sensitivity: light sensitive,air sensitive
• Flash Point(°C): 112 °C - closed cup
• Boil Point(°C): 170°C/12mmHg
• Melt Point(°C): 58°C
• Molecular Weight: 148.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.1 Da
• Monoisotopic Mass: 148.1 Da
• Topological Polar Surface Area: 16.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 113.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Weitao Xu, Xinyu Deng, Xin Xiao, Bing Bian, Qing Chen, Scott J. Dalgarno, Zhu Tao, Carl Redshaw.  (2020)  Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10).  NEW JOURNAL OF CHEMISTRY,  44  (11): (4311-4318).  [PMID:] [10.1039/D0NJ00087F]

2. Weitao Xu, Ming Liu, Mary Clare Escaño, Carl Redshaw, Bing Bian, Ying Fan, Zhu Tao, Xin Xiao.  (2019)  Alkyl substituted 4-pyrrolidinopyridinium salts encapsulated in the cavity of cucurbit[10]uril.  NEW JOURNAL OF CHEMISTRY,  43  (18): (7028-7034).  [PMID:] [10.1039/C9NJ01089K]

3. Weitao Xu, Jinglan Kan, Bo Yang, Timothy J. Prior, Bing Bian, Xin Xiao, Zhu Tao, Carl Redshaw.  (2018)  A Study of the Interaction Between Cucurbit[8]uril and Alkyl-Substituted 4-Pyrrolidinopyridinium Salts.  Chemistry-An Asian Journal,  14  (1): (235-242).  [PMID:30462888] [10.1002/asia.201801498]

4. Yue Yao, Hanqi Qian, Dan Qi, Jinrui Bai, Chao Liu.  (2024)  Novel insights into the correlation composition-structure-property of recyclable carbon fiber reinforced thermosetting resin composites.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.111023]

5. Huiyao Yang, Bingxi Song, Peihong Zhang, Qijie Zhu, Fu Ding, Yao-Feng Wang, Guliang Liu, Yanyan Diao, Hongyan Wang.  (2025)  Catalytic selectivity in hexafluoropropylene trimerization using tailored nucleophilic ionic liquids.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D5NJ00490J]