N,N′-Di-terc-butilcarbodiimida - ≥98% , CAS No.691-24-7

CAS: 691-24-7 Cat. No.: N304407 Peso molecular: 154.25 Número EC: 211-719-6

GRADE & PURITY ≥98%

Synonyms

AKOS015915414 | N,N'-di-tert-Butylcarbodiimide | N,N-DI-TERT-BUTYLCARBODIIMIDE | N,N'-Di-tert-butylcarbodiimide, 99% | SY115962 | CC(C)(C)N=C=NC(C)(C)C | 1,3-di-tert-butyl carbodiimide | EN300-7702106 | FT-0606726 | IDVWLLCLTVBSCS-UHFFFAOYSA- | di-t-butyl

Storage

Temperatura ambiente,Cargado con argón,Desecado

Shipped In

Normal

Descripción general

Aplicación

Puede utilizarse N,N′-Di-terc-butilcarbodiimida:

Como reactivo para la guanilación de aminas arílicas catalizada por amidas de lantano.

Para preparar dicloroimidazolidina-4,5-diona mediante reacción con cloruro de oxalilo, que es un intermediario clave para la síntesis de N,N′-diamidocarbenos.

Preparar el complejo de iridio de la benzamidina denominado Ir(FMeppy)2(N,N′-di-terc-butil-4-metil-benzamidina).

Specifications

Sinónimos

AKOS015915414 | N, N'-di-tert-Butylcarbodiimide | N, N-DI-TERT-BUTYLCARBODIIMIDE | N, N'-Di-tert-butylcarbodiimide, 99% | SY115962 | CC(C)(C)N=C=NC(C)(C)C | 1, 3-di-tert-butyl carbodiimide | EN300-7702106 | FT-0606726 | IDVWLLCLTVBSCS-UHFFFAOYSA- | di-t-butyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, Cargado con argón, Desecado

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754418
• Sonrisas canónicas: CC(C)(C)N=C=NC(C)(C)C
• InChIKey: IDVWLLCLTVBSCS-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
• Isómeros SMILES: CC(C)(C)N=C=NC(C)(C)C
• Peso molecular: 154.25
• Reaxy-Rn: 1758049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Carbodiimides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Carbodiimides
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbodiimides
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbodiimide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbodiimides. These are organic compounds containing a functional group consisting of the formula RN=C=NR.
• 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

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°C): 35 °C - closed cup
• Punto de ebullición (°C): 48-50°C 12mm Hg (Lit.)
• Peso molecular: 154.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.147 Da
• Monoisotopic Mass: 154.147 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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