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 CE: 236-071-1

GRADE & PURITY ≥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

Specifications

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-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504755656

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de fusão (°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