(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol trimethylsilyl ether - ≥95% , CAS No.848821-58-9

CAS: 848821-58-9 Cat. No.: I135692 Molecular Weight: 325.52 EC Number: 628-584-8

GRADE & PURITY ≥95%

Synonyms

AKOS015840590 | inverted exclamation mark, | STL557442 | (S)-(-)- alpha , alpha -Diphenyl-2-pyrrolidinemethanol trimethylsilyl ether | J-524159 | (S)-(-)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine | (s)-(-)-alpha,alpha-diphenyl-2-pyrrolidinemethano

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Organocatalyst for 3-component reactions and Robinson annulation of α,β-unsaturated aldehydes.

Specifications

Synonyms

AKOS015840590 | inverted exclamation mark, | STL557442 | (S)-(-)- alpha , alpha -Diphenyl-2-pyrrolidinemethanol trimethylsilyl ether | J-524159 | (S)-(-)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine | (s)-(-)-alpha, alpha-diphenyl-2-pyrrolidinemethano

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766149
• Canonical Smiles: C[Si](C)(C)OC(C1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
• InChIKey: RSUHWMSTWSSNOW-IBGZPJMESA-N
• INCHI: 1S/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1
• Isomeric SMILES: C[Si](C)(C)OC([C@@H]1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 325.52
• Reaxy-Rn: 18829165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18829165&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 Trialkylheterosilanes Pyrrolidines Silyl ethers Organic metalloid salts Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Trialkylheterosilane - Pyrrolidine - Silyl ether - Secondary aliphatic amine - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Secondary amine - Amine - Organosilicon compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.5513
• Specific Rotation[α]: -50° (C=1,CHCl3)
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Molecular Weight: 325.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 325.186 Da
• Monoisotopic Mass: 325.186 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 348.000
• 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

XLogP3

References

1. Hongfeng Chen, Yan Li, Jue Cheng, Yanlong Luo, Qingsong Lian.  (2023)  Directly Using Paraffin as the Toughening Agent of Epoxy Composites: An Experimental and Molecular Dynamics Simulation Study.  LANGMUIR,      [PMID:36622385] [10.1021/acs.langmuir.2c02439]

2. Dan Feng, Yan Xia.  (2018)  Covalent organic framework as efficient desorption/ionization matrix for direct detection of small molecules by laser desorption/ionization mass spectrometry.  ANALYTICA CHIMICA ACTA,      [PMID:29523252] [10.1016/j.aca.2018.02.017]