tert-butyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-yl)ethylcarbamate - ≥95% , CAS No.134272-63-2

CAS: 134272-63-2 Cat. No.: T595413 Peso molecular: 240.26

GRADE & PURITY ≥95%

Synonyms

Mal-NH-Boc | FT-0663446 | N-(2-[(t-Boc)amino]ethyl Maleimide | AS-36886 | SCHEMBL998261 | MFCD03425523 | tert-Butyl (2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)carbamate | AKOS016001335 | N-(2-Boc-amino)ethyl Maleimide | SNYRFQCLCLMCCG-UHFFFAOYSA-N | (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

tert-butyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-yl)ethylcarbamate contains a maleimide group and a Boc-protected amine group. The protected amine can be deprotected by acidic conditions. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.

Specifications

Sinónimos

Mal-NH-Boc | FT-0663446 | N-(2-[(t-Boc)amino]ethyl Maleimide | AS-36886 | SCHEMBL998261 | MFCD03425523 | tert-Butyl (2-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)ethyl)carbamate | AKOS016001335 | N-(2-Boc-amino)ethyl Maleimide | SNYRFQCLCLMCCG-UHFFFAOYSA-N | (

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
• IUPAC Name: tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
• InChIKey: SNYRFQCLCLMCCG-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O4/c1-11(2,3)17-10(16)12-6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16)
• Isómeros SMILES: CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
• Peso molecular: 240.26
• Reaxy-Rn: 6651245
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6651245&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: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Carbamic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

• Punto de fusión (°C): 123-127° C
• Peso molecular: 240.260 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 240.111 Da
• Monoisotopic Mass: 240.111 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 350.000
• 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