Borane N,N-diethylaniline complex - ≥98% , CAS No.13289-97-9

CAS: 13289-97-9 Cat. No.: N138157 Peso molecular: 163.07 Número EC: 236-305-2 PubChem CID: 6335292

GRADE & PURITY ≥98%

Synonyms

NSC 239123 | diethylaniline borane | EINECS 236-305-2 | NSC 239123 | DTXSID8065400 | N,N-Diethylanilineborane | SCHEMBL184484 | AS-55590 | AKOS015833632 | N,N-Diethylaniline Borane | SCHEMBL5585967 | FT-0636865 | BCP13080 | D78343 | J-006247 | (N,N-Diethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Reactant for: . Diastereoselective reduction of prochiral enone intermediates . Borylation of aryl halides . Reductions of ketones, acids, esters, amides, and nitriles . Investigations of borane source on enantioselectivity in enantiopure oxazaborolidine-catalyzed asymmetric borane reduction of ketones Reactant for synthesis of: . Chromanol derivatives as CETP inhibitors for the treatment of cardiovascular disease . Allylic alcohols via enantioselective reductions . Pinacolboranes for one-pot synthesis of unsymmetrical biaryls

Specifications

Sinónimos

NSC 239123 | diethylaniline borane | EINECS 236-305-2 | NSC 239123 | DTXSID8065400 | N, N-Diethylanilineborane | SCHEMBL184484 | AS-55590 | AKOS015833632 | N, N-Diethylaniline Borane | SCHEMBL5585967 | FT-0636865 | BCP13080 | D78343 | J-006247 | (N, N-Diethy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: [B].CCN(CC)C1=CC=CC=C1
• InChIKey: KHYAFFAGZNCWPT-UHFFFAOYSA-N
• INCHI: 1S/C10H15N.B/c1-3-11(4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3
• Isómeros SMILES: [B].CCN(CC)C1=CC=CC=C1
• WGK Alemania: 3
• PubChem CID: 6335292
• Peso molecular: 163.07
• Reaxy-Rn: 14402931

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organic metalloid salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

• Solubilidad: Solubility in water: may decompose
• Sensibilidad: Moisture sensitive
• Punto de inflamación (°C): 63°C
• Punto de fusión (°C): −30-−27 °C
• Peso molecular: 160.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 160.13 Da
• Monoisotopic Mass: 160.13 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 91.000
• 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: 2

XLogP3

Referencias

1. Xianhua Mao, Ziyu Li, Yijia Liu, Xiuxiu Nie, Benzhang Li, Qinglin Jiang, Chunmei Gao, Yuan Gao, Lei Wang.  (2020)  Tuning the structure of borane-nitrogen derivatives towards high-performance carbon nanotubes-based n-type thermoelectric materials.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.126616]