3-boc-4,4-dimethyl-2,2-dioxo-[1,2,3]oxathiazolidine - ≥97% , CAS No.454248-55-6

CAS: 454248-55-6 Cat. No.: B176519 Peso molecular: 251.3 Número EC: 882-632-4

GRADE & PURITY ≥97%

Synonyms

A913204 | SB18569 | SY098673 | MFCD22123261 | tert-Butyl 4,4-dimethyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide | tert-Butyl4,4-dimethyl-1,2,3-oxathiazolidine-3-carboxylate2,2-dioxide | 4,4-Dimethyl-1,2,3-oxathiazolidine 2,2-dioxide, N-BOC protected

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

A913204 | SB18569 | SY098673 | MFCD22123261 | tert-Butyl 4, 4-dimethyl-1, 2, 3-oxathiazolidine-3-carboxylate 2, 2-dioxide | tert-Butyl4, 4-dimethyl-1, 2, 3-oxathiazolidine-3-carboxylate2, 2-dioxide | 4, 4-Dimethyl-1, 2, 3-oxathiazolidine 2, 2-dioxide, N-BOC protected

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766019
• Sonrisas canónicas: CC1(COS(=O)(=O)N1C(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate
• InChIKey: BNXUCYJCRZGFLG-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO5S/c1-8(2,3)15-7(11)10-9(4,5)6-14-16(10,12)13/h6H2,1-5H3
• Isómeros SMILES: CC1(COS(=O)(=O)N1C(=O)OC(C)(C)C)C
• Peso molecular: 251.3
• Reaxy-Rn: 8832963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8832963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Oxathiazolidines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,2,3-oxathiazolidine - Organic sulfuric acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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: Light sensitive
• Peso molecular: 251.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.083 Da
• Monoisotopic Mass: 251.083 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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