Boc-OSu - ≥98% , CAS No.13139-12-3

CAS: 13139-12-3 Cat. No.: B166931 Fórmula: C₉H₁₃NO₅ Peso molecular: 215.2 Beilstein Registry Number: 1536760 Número EC: 236-071-1

CALIDAD & PUREZA ≥98%

Synonyms

EINECS 236-071-1 | tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate | BOC-OSU, tert-Butyl N-succinimidyl carbonate | FT-0636810 | N-(tert-Butoxycarbonyloxy)succinimide | tert-Butyl(2,5-dioxopyrrolidin-1-yl)carbonate | 1-[(tert-butoxycarbonyl)oxy]pyrrolidine-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

EINECS 236-071-1 | tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate | BOC-OSU, tert-Butyl N-succinimidyl carbonate | FT-0636810 | N-(tert-Butoxycarbonyloxy)succinimide | tert-Butyl(2,5-dioxopyrrolidin-1-yl)carbonate | 1-[(tert-butoxycarbonyl)oxy]pyrrolidine-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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

504755656

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755656

Sonrisas canónicas

CC(C)(C)OC(=O)ON1C(=O)CCC1=O

IUPAC Name

tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate

InChIKey

VTGFSVGZCYYHLO-UHFFFAOYSA-N

INCHI

1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3

Isómeros SMILES

CC(C)(C)OC(=O)ON1C(=O)CCC1=O

WGK Alemania

2

Peso molecular

215.2

Beilstein

1536760

Reaxy-Rn

1536756

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1536756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Organic carbonic acids and derivatives Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Carbonic acid derivative - Lactam - Azacycle - Carboxylic acid derivative - 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 pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 95°C
• Peso molecular: 215.200 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.079 Da
• Monoisotopic Mass: 215.079 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 288.000
• 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