(1S,2S)-N,N'-Dimethyl-1,2-diphenyl-1,2-ethanediamine - ≥97%(HPLC),≥99%(ee) , CAS No.70749-06-3

CAS: 70749-06-3 Cat. No.: S400867 Peso molecular: 240.35 Número EC: 695-310-1

GRADE & PURITY ≥97%(HPLC),≥99%(ee)

Synonyms

1,2-Ethanediamine,N,N'-dimethyl-1,2-diphenyl-,(1S,2S)- | rel-(1S,2S)-N,N'-Dimethyl-1,2-diphenylethane-1,2-diamine | (1S,2S)-N1,N2-Dimethyl-1,2-diphenylethane-1,2-diamine | (1S,2S)-(-)-N,N'-Dimethyl-1,2-diphenylethylenediamine | 1,2-Ethanediamine, N,N'-dim

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Descripción general

Application：

(1S,2S)-N,N′-Dimethyl-1,2-diphenyl-1,2-ethylenediamine can be used as:

A precursor for the synthesis of chiral imidazolinium salts, which are used as catalysts for aza Diels−Alder reaction and as shift reagents for potassium salt of Mosher′s acid.

A ligand in the preparation of 2,3-dihydrobenzofurans and indanes by reacting alkyl halides with alkyl electrophiles using nickel/diamine catalyst.

A ligand in the synthesis of carbamates, sulfonamides, and sulfones through alkyl-alkyl Suzuki reaction using Ni catalyst.

Specifications

Sinónimos

1, 2-Ethanediamine, N, N'-dimethyl-1, 2-diphenyl-, (1S, 2S)- | rel-(1S, 2S)-N, N'-Dimethyl-1, 2-diphenylethane-1, 2-diamine | (1S, 2S)-N1, N2-Dimethyl-1, 2-diphenylethane-1, 2-diamine | (1S, 2S)-(-)-N, N'-Dimethyl-1, 2-diphenylethylenediamine | 1, 2-Ethanediamine, N, N'-dim

Especificaciones y pureza

≥97%(HPLC), ≥99%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%(HPLC), ≥99%(ee)

Nombres e identificadores

• Pubchem Sid: 504764609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764609
• Sonrisas canónicas: CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC
• IUPAC Name: (1S,2S)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine
• InChIKey: BTHYVQUNQHWNLS-HOTGVXAUSA-N
• INCHI: 1S/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m0/s1
• Isómeros SMILES: CN[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC
• Peso molecular: 240.35
• Reaxy-Rn: 2117787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2117787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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): 48-53 °C
• Peso molecular: 240.340 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.163 Da
• Monoisotopic Mass: 240.163 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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