(4S,​4'S)​-2,​2'-​Cyclohexylidenebis[4​-​tert-butyl-​4,​5-​dihydrooxazole] - ≥98% , CAS No.298693-04-6

CAS: 298693-04-6 Cat. No.: S281577 Peso molecular: 334.5 PubChem CID: 10782968

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥98%

Información jurídica

Sold in collaboration with Daicel for research purposes only.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196822
• Sonrisas canónicas: CC(C)(C)C1COC(=N1)C2(CCCCC2)C3=NC(CO3)C(C)(C)C
• IUPAC Name: (4S)-4-tert-butyl-2-[1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
• InChIKey: FKMZKCPMCVOKEV-HUUCEWRRSA-N
• INCHI: 1S/C20H34N2O2/c1-18(2,3)14-12-23-16(21-14)20(10-8-7-9-11-20)17-22-15(13-24-17)19(4,5)6/h14-15H,7-13H2,1-6H3/t14-,15-/m1/s1
• Isómeros SMILES: CC(C)(C)[C@H]1COC(=N1)C2(CCCCC2)C3=N[C@H](CO3)C(C)(C)C
• PubChem CID: 10782968
• Peso molecular: 334.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Oxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolines
• Alternative Parents: Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazoline - Imido ester - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• 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

• Punto de ebullición (°C): 140-150 °C
• Punto de fusión (°C): 79.0-80.0°C
• Peso molecular: 334.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 334.262 Da
• Monoisotopic Mass: 334.262 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 489.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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