(R)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol tert-butyldimethylsilyl ether - ≥96%(HPLC) , CAS No.1146629-74-4

CAS: 1146629-74-4 Cat. No.: I166116 Molecular Weight: 639.59 EC Number: 689-440-8

GRADE & PURITY ≥96%(HPLC)

Synonyms

(2R)-2-(bis[3,5-bis(trifluoromethyl)phenyl][tert-butyl(dimethyl)silyl]oxymethyl)pyrrolidine | (R)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((tert-butyldimethylsilyl)oxy)methyl)pyrrolidine | Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][[(1,1-dimethylet

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

(2R)-2-(bis[3, 5-bis(trifluoromethyl)phenyl][tert-butyl(dimethyl)silyl]oxymethyl)pyrrolidine | (R)-2-(Bis(3, 5-bis(trifluoromethyl)phenyl)((tert-butyldimethylsilyl)oxy)methyl)pyrrolidine | Pyrrolidine, 2-[bis[3, 5-bis(trifluoromethyl)phenyl][[(1, 1-dimethylet

Specifications & Purity

≥96%(HPLC)

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202048
• Canonical Smiles: CC(C)(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]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane
• InChIKey: ZLULOCHUEDLXQY-OAQYLSRUSA-N
• INCHI: 1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1
• Isomeric SMILES: CC(C)(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
• Molecular Weight: 639.59
• Reaxy-Rn: 45217279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45217279&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: Trifluoromethylbenzenes Aralkylamines Trialkylheterosilanes Pyrrolidines Silyl ethers Organic metalloid salts Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Trifluoromethylbenzene - Aralkylamine - Pyrrolidine - Trialkylheterosilane - Silyl ether - Secondary aliphatic amine - Organoheterosilane - Secondary amine - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Alkyl fluoride - Organic salt - Organosilicon compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - 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: light sensitive
• Molecular Weight: 639.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 639.183 Da
• Monoisotopic Mass: 639.183 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 827.000
• 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

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