(R)-(+)-alpha,alpha-Diphenylprolinol - ≥99% , CAS No.22348-32-9

CAS: 22348-32-9 Cat. No.: A120754 Formula: C₁₇H₁₉NO Molecular Weight: 253.34 Beilstein Registry Number: 4353363 EC Number: 606-992-7

GRADE & PURITY ≥99%

Synonyms

EINECS 237-296-8 | BCP17400 | D56JS74WW2 | MFCD00077754 | FD1265 | 2-PYRROLIDINEMETHANOL, .ALPHA.,.ALPHA.-DIPHENYL-, (R)- | (R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine | (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol | SCHEMBL100360 | .ALPHA.,.ALPHA

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Used to prepare the corresponding oxazaborolidines for the borane-mediated asymmetric reduction of ketones.

Specifications

Synonyms

EINECS 237-296-8 | BCP17400 | D56JS74WW2 | MFCD00077754 | FD1265 | 2-PYRROLIDINEMETHANOL, .ALPHA.,.ALPHA.-DIPHENYL-, (R)- | (R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine | (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol | SCHEMBL100360 | .ALPHA.,.ALPHA

Specifications & Purity

≥99%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488196181
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196181
• Canonical Smiles: C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• IUPAC Name: diphenyl-[(2R)-pyrrolidin-2-yl]methanol
• InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-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-/m1/s1
• Isomeric SMILES: C1C[C@@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• WGK Germany: 3
• Molecular Weight: 253.34
• Beilstein: 4353363
• 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic alcohol - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in Chloroform almost transparency
• Sensitivity: Air sensitive
• Specific Rotation[α]: 58°C
• Melt Point(°C): 78°C
• Molecular Weight: 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