Boc-OSu - ≥98% , CAS No.13139-12-3

CAS: 13139-12-3 Cat. No.: B166931 Molecular Weight: 215.2 Beilstein Registry Number: 1536760 EC Number: 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

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-

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755656
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755656
• Canonical Smiles: 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
• Isomeric SMILES: CC(C)(C)OC(=O)ON1C(=O)CCC1=O
• WGK Germany: 2
• Molecular Weight: 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
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 95°C
• Molecular Weight: 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