(S)-4-(tert-Butyl)-2-(quinolin-2-yl)-4,5-dihydrooxazole - ≥97%,≥99%(ee) , CAS No.226387-12-8

CAS: 226387-12-8 Cat. No.: S588250 Peso molecular: 254.33 Número EC: 808-987-7 PubChem CID: 44604451

GRADE & PURITY ≥97%,≥99%(ee)

Synonyms

2-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]quinoline | D74682 | SCHEMBL198268 | (S)-t-Bu-Quinox, 97% | AKOS037651192 | (4S)-4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole | DTXSID301179259 | (S)-4-(tert-Butyl)-2-(quinolin-2-yl)-4,5-dihydro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-[(4S)-4-(1, 1-Dimethylethyl)-4, 5-dihydro-2-oxazolyl]quinoline | D74682 | SCHEMBL198268 | (S)-t-Bu-Quinox, 97% | AKOS037651192 | (4S)-4-tert-butyl-2-quinolin-2-yl-4, 5-dihydro-1, 3-oxazole | DTXSID301179259 | (S)-4-(tert-Butyl)-2-(quinolin-2-yl)-4, 5-dihydro

Especificaciones y pureza

≥97%, ≥99%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%, ≥99%(ee)

Nombres e identificadores

• Pubchem Sid: 504770389
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770389
• Sonrisas canónicas: CC(C)(C)C1COC(=N1)C2=NC3=CC=CC=C3C=C2
• IUPAC Name: (4S)-4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
• InChIKey: ZECIAWBAXVMXKI-CQSZACIVSA-N
• INCHI: 1S/C16H18N2O/c1-16(2,3)14-10-19-15(18-14)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,14H,10H2,1-3H3/t14-/m1/s1
• Isómeros SMILES: CC(C)(C)[C@H]1COC(=N1)C2=NC3=CC=CC=C3C=C2
• PubChem CID: 44604451
• Peso molecular: 254.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Oxazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Oxazoline - 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 - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

• Peso molecular: 254.330 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.142 Da
• Monoisotopic Mass: 254.142 Da
• Topological Polar Surface Area: 34.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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