tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylate - ≥97% , CAS No.142573-55-5

CAS: 142573-55-5 Cat. No.: T629097 Peso molecular: 320.22 PubChem CID: 638443

GRADE & PURITY ≥97%

Synonyms

142573-55-5 | (R)-tert-Butyl 4-(3-bromoprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate | tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylate | 3-Oxazolidinecarboxylic acid, 4-(3-bromo-1-propenyl)-2,2-dimethyl-,1,1-dimet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

142573-55-5 | (R)-tert-Butyl 4-(3-bromoprop-1-en-1-yl)-2, 2-dimethyloxazolidine-3-carboxylate | tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2, 2-dimethyl-oxazolidine-3-carboxylate | 3-Oxazolidinecarboxylic acid, 4-(3-bromo-1-propenyl)-2, 2-dimethyl-, 1, 1-dimet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1(N(C(CO1)C=CCBr)C(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• InChIKey: LRQFEHKKEOQOPY-VQCYPWCPSA-N
• INCHI: 1S/C13H22BrNO3/c1-12(2,3)18-11(16)15-10(7-6-8-14)9-17-13(15,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+/t10-/m1/s1
• Isómeros SMILES: CC1(N([C@@H](CO1)/C=C/CBr)C(=O)OC(C)(C)C)C
• PubChem CID: 638443
• Peso molecular: 320.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Oxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolidines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazolidine - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and 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

• Peso molecular: 320.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 319.078 Da
• Monoisotopic Mass: 319.078 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1