(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether - ≥97% , CAS No.848821-61-4

CAS: 848821-61-4 Cat. No.: S469737 Molecular Weight: 597.52 EC Number: 628-093-9 PubChem CID: 11284830

GRADE & PURITY ≥97%

Synonyms

(S)-,-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether | MOHRGTBNEJKFMB-IBGZPJMESA-N | A863938 | (S)-ALPHA,ALPHA-BIS(3,5-BIS(TRIFLUOROMET | AS-42927 | (S)-ALPHA,ALPHA-BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-PYRROLIDINEMETHANOL

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether is a diarylprolinol silyl ether organocatalyst. It can catalyze a variety of bond-forming reactions such as C-C, C-N, C-O, C-S, and C-Hal in high yields and excellent levels of enantiocontrol.

Specifications

Synonyms

(S)-, -Bis[3, 5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether | MOHRGTBNEJKFMB-IBGZPJMESA-N | A863938 | (S)-ALPHA, ALPHA-BIS(3, 5-BIS(TRIFLUOROMET | AS-42927 | (S)-ALPHA, ALPHA-BIS(3, 5-BIS(TRIFLUOROMETHYL)PHENYL)-2-PYRROLIDINEMETHANOL

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766244
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766244
• Canonical Smiles: C[Si](C)(C)OC(C1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• IUPAC Name: [bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
• InChIKey: MOHRGTBNEJKFMB-IBGZPJMESA-N
• INCHI: 1S/C24H23F12NOSi/c1-39(2,3)38-20(19-5-4-6-37-19,13-7-15(21(25,26)27)11-16(8-13)22(28,29)30)14-9-17(23(31,32)33)12-18(10-14)24(34,35)36/h7-12,19,37H,4-6H2,1-3H3/t19-/m0/s1
• Isomeric SMILES: C[Si](C)(C)OC([C@@H]1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• PubChem CID: 11284830
• Molecular Weight: 597.52

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: Trifluoromethylbenzenes Aralkylamines Trialkylheterosilanes Pyrrolidines Silyl ethers Organic metalloid salts Dialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Trifluoromethylbenzene - Aralkylamine - Pyrrolidine - Trialkylheterosilane - Silyl ether - Secondary aliphatic amine - Secondary amine - Organoheterosilane - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organosilicon compound - Amine - Hydrocarbon derivative - Alkyl fluoride - 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 and moisture sensitive
• Molecular Weight: 597.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 597.136 Da
• Monoisotopic Mass: 597.136 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 737.000
• 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