Boc-OSu - ≥98% , CAS No.13139-12-3

CAS: 13139-12-3 Cat. No.: B166931 Formule: C₉H₁₃NO₅ Poids moléculaire: 215.2 Beilstein Registry Number: 1536760 Numéro 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

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755656

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point de fusion (°C): 95°C
• Poids moléculaire: 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