(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole) - ≥98% , CAS No.160191-64-0

CAS: 160191-64-0 Cat. No.: P121162 Peso molecular: 390.53 Número EC: 691-519-7 PubChem CID: 10960121

GRADE & PURITY ≥98%

Synonyms

DTXSID40449873 | Oxazole, 2,2'-(1-ethylpropylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4S,4'S)- | (S,S)-2,2'-(Diethylmethylene)bis(4-benzyl-2-oxazoline) | AS-73548 | T71869 | A906588 | (4S,4/'S)-2,2/'-(Pentane-3,3/'-diyl)bis(4-benzyl-4,5-dihydrooxazole) |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID40449873 | Oxazole, 2, 2'-(1-ethylpropylidene)bis[4, 5-dihydro-4-(phenylmethyl)-, (4S, 4'S)- | (S, S)-2, 2'-(Diethylmethylene)bis(4-benzyl-2-oxazoline) | AS-73548 | T71869 | A906588 | (4S, 4/'S)-2, 2/'-(Pentane-3, 3/'-diyl)bis(4-benzyl-4, 5-dihydrooxazole) |

Especificaciones y pureza

≥98%

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: 488196984
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196984
• Sonrisas canónicas: CCC(CC)(C1=NC(CO1)CC2=CC=CC=C2)C3=NC(CO3)CC4=CC=CC=C4
• IUPAC Name: (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
• InChIKey: ZIDQHNROIGAKIB-VXKWHMMOSA-N
• INCHI: 1S/C25H30N2O2/c1-3-25(4-2,23-26-21(17-28-23)15-19-11-7-5-8-12-19)24-27-22(18-29-24)16-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m0/s1
• Isómeros SMILES: CCC(CC)(C1=N[C@H](CO1)CC2=CC=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4
• PubChem CID: 10960121
• Peso molecular: 390.53
• Reaxy-Rn: 7311680

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxazolines Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxazoline - Imido ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Moisture Sensitive
• Rotación específica [α]: -21° (C=2.5,CHCl3)
• Punto de inflamación (°C): 208 °C
• Peso molecular: 390.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 390.231 Da
• Monoisotopic Mass: 390.231 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 536.000
• 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