tert-butyl (4S)-4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate - ≥97% , CAS No.205491-14-1

CAS: 205491-14-1 Cat. No.: T631434 Peso molecular: 273.32 PubChem CID: 10923729

GRADE & PURITY ≥97%

Synonyms

205491-14-1 | Methyl (S)-3-Boc-2,2-dimethyloxazolidine-4-acetate | Methyl(S)-3-Boc-2,2-dimethyloxazolidine-4-acetate | tert-Butyl (S)-4-(2-methoxy-2-oxoethyl)-2,2-dimethyloxazolidine-3-carboxylate | MFCD31630341 | SCHEMBL1863729 | tert-butyl (4S)-4-(2-met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

205491-14-1 | Methyl (S)-3-Boc-2, 2-dimethyloxazolidine-4-acetate | Methyl(S)-3-Boc-2, 2-dimethyloxazolidine-4-acetate | tert-Butyl (S)-4-(2-methoxy-2-oxoethyl)-2, 2-dimethyloxazolidine-3-carboxylate | MFCD31630341 | SCHEMBL1863729 | tert-butyl (4S)-4-(2-met

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)CC(=O)OC)C(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• InChIKey: WFOPTBMQSIGXEZ-VIFPVBQESA-N
• INCHI: 1S/C13H23NO5/c1-12(2,3)19-11(16)14-9(7-10(15)17-6)8-18-13(14,4)5/h9H,7-8H2,1-6H3/t9-/m0/s1
• Isómeros SMILES: CC1(N([C@H](CO1)CC(=O)OC)C(=O)OC(C)(C)C)C
• PubChem CID: 10923729
• Peso molecular: 273.32

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: Methyl esters Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazolidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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: 273.330 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 273.158 Da
• Monoisotopic Mass: 273.158 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 359.000
• 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