(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol - ≥99% , CAS No.112068-01-6

CAS: 112068-01-6 Cat. No.: D128575 Peso molecular: 253.35 Beilstein Registry Number: 21(5)4,62 Número EC: 601-153-1

GRADE & PURITY ≥99%

Synonyms

SCHEMBL239738 | (S)-Diphenyl(pyrrolidin-2-yl)methanol | A,A-Diphenyl-L-prolinol | (S)-alpha,alpha-diphenyl-2-pyrrolidine methanol | (S)-alpha,alpha-diphenyl-2-pyrrolidinemethanol | (S)-(-)- alpha , alpha -Diphenyl-2-pyrrolidinemethanol | (S)-(-)-alpha,alp

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Description

(S) - (-) - α, α - diphenyl-2-pyrrolidine methanol is a bifunctional organic catalyst

Product Application

(S) - (-) - α, α - diphenyl-2-pyrrolidine ethanol (DPPM) can be used in the following processes:

The reaction of DPPM with catechol borane produces spiroborate, which can be used as an efficient catalyst for the reduction of acetophenone borane to enantiomeric pure alcohol.

The catalyst formed by the in situ reaction of benzophenone with borane Diethylaniline can effectively catalyze the enantioselective reduction of 2 ′ - fluoroacetophenone.

DPPM functionalized mesoporous SBA-15 silica gel can catalyze the addition of diethylzinc with benzaldehyde to form (s) - 1-phenyl-propanol.

It can be used for borane mediated asymmetric reduction of ketones.

Specifications

Sinónimos

SCHEMBL239738 | (S)-Diphenyl(pyrrolidin-2-yl)methanol | A, A-Diphenyl-L-prolinol | (S)-alpha, alpha-diphenyl-2-pyrrolidine methanol | (S)-alpha, alpha-diphenyl-2-pyrrolidinemethanol | (S)-(-)- alpha , alpha -Diphenyl-2-pyrrolidinemethanol | (S)-(-)-alpha, alp

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488192318
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192318
• Sonrisas canónicas: C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• IUPAC Name: diphenyl-[(2S)-pyrrolidin-2-yl]methanol
• InChIKey: OGCGXUGBDJGFFY-INIZCTEOSA-N
• INCHI: 1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1
• Isómeros SMILES: C1C[C@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• WGK Alemania: 3
• Peso molecular: 253.35
• Beilstein: 21(5)4,62
• Reaxy-Rn: 201318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=201318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Tertiary alcohols Pyrrolidines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: Soluble in chloroform.
• Sensibilidad: Air Sensitive
• Rotación específica [α]: -65.0 to -69.0 deg(C=3, CHCl3)
• Punto de fusión (°C): 76-80°C
• Peso molecular: 253.340 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.147 Da
• Monoisotopic Mass: 253.147 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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