Azetidine - ≥98% , CAS No.503-29-7

CAS: 503-29-7 Cat. No.: A123981 Summenformel: C₃H₇N Molekulargewicht: 57.09 Beilstein Registry Number: 102384 EG-Nummer: 207-963-8

GRADE & PURITY ≥98%

Synonyms

MFCD00005165 | Azacyclobutane | InChI=1/C3H7N/c1-2-4-3-1/h4H,1-3H | Azetidine, L- | CM42900000 | EN300-21102 | AI3-61395 | AKOS000121515 | Q425376 | Azete, tetrahydro- | Trimethyleneimine | AZETIDINE | Azetidine, 98% | Acetidine | DTXSID8060117 | BB 02547

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Under the catalysis of palladium, it is used for high-yield cross-coupling reaction with bromoaromatics. It is also used for Ullmann type coupling reaction with iodonitrofluorene.

Specifications

Synonyme

MFCD00005165 | Azacyclobutane | InChI=1/C3H7N/c1-2-4-3-1/h4H,1-3H | Azetidine, L- | CM42900000 | EN300-21102 | AI3-61395 | AKOS000121515 | Q425376 | Azete, tetrahydro- | Trimethyleneimine | AZETIDINE | Azetidine, 98% | Acetidine | DTXSID8060117 | BB 02547

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528772584
• Kanonisches Lächeln: C1CNC1
• IUPAC Name: azetidine
• InChIKey: HONIICLYMWZJFZ-UHFFFAOYSA-N
• INCHI: 1S/C3H7N/c1-2-4-3-1/h4H,1-3H2
• Isomere SMILES: C1CNC1
• WGK Deutschland: 3
• Molekulargewicht: 57.09
• Beilstein: 102384
• Reaxy-Rn: 102384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon atom.
• External Descriptors: azacycloalkane - saturated organic heteromonocyclic parent - azetidines

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water.
• Empfindlichkeit: Air & Moisture Sensitive; heat sensitive
• Brechungsindex: 1.432
• Flammpunkt (°F): -5.8 °F
• Flammpunkt (°C): -21℃(-6°F)
• Siedepunkt (°C): 61-62°C
• Molekulargewicht: 57.090 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 57.0578 Da
• Monoisotopic Mass: 57.0578 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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

Referenzen

1. Xiu Chen, Ying Zhang, Haidong Li, Quan Shi, Suoqi Zhao, Linzhou Zhang.  (2025)  Interaction of a Vanadyl Porphyrin with Basic Amines and N-Heterocycles Ligands: A High-Resolution MS, UV–vis and DFT Study.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.5c01603]