((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(di(naphthalen-1-yl)methanol)

Base Information

• Chemical Name: ((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(di(naphthalen-1-yl)methanol)
• CAS No.: 171086-52-5
• Molecular Formula: C47H38O4
• Molecular Weight: 666.80200
• DSSTox Substance ID: DTXSID70465662
• Nikkaji Number: J1.239.007F
• Wikidata: Q72472165
• Mol file: 171086-52-5.mol

Synonyms:171086-52-5;((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(di(naphthalen-1-yl)methanol);(4S-trans)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol;[(4S,5S)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-1-ylmethanol;395242_ALDRICH;SCHEMBL2529940;DTXSID70465662;MFCD31560621;AKOS040768130;BS-46784;CS-0086362;E74537;J-010686;(4S,5S)-2,2-dimethyl-,,','-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanol;(4S,5S)-2,2-dimethyl-|A,|A,|A',|A'-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanol;(4S-trans)-2,2-Dimethyl- alpha , alpha , alpha ', alpha '-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol;(4S-trans)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol, 99%;[(4S,5S)-5-[hydroxy-bis(1-naphthyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(1-naphthyl)methanol

Chemical Property of ((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(di(naphthalen-1-yl)methanol)

Chemical Property:

• Melting Point: 200ºC (dec.)(lit.)
• PKA: 12.00±0.29(Predicted)
• PSA: 58.92000
• Density: 1.27g/cm3
• LogP: 9.99150
• XLogP3: 10.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 666.27700969
• Heavy Atom Count: 51
• Complexity: 1020

Purity/Quality:

98%,99%, ^*data from raw suppliers

(4S-trans)-2,2-Dimethyl-α,α,α′,α′-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(OC(C(O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C
• Isomeric SMILES: CC1(O[C@@H]([C@H](O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C
• Uses: (4S-trans)-2,2-Dimethyl-α,α,α′,α′-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanol, also known as TADDOL, is a chiral auxiliary that can be used:For the highly enantioselective addition of primary alkyl Grignards to ketones.As an organocatalyst for the activation of carbonyl functionality in vinylogous addition reaction of an aldehyde.As a chiral dopant in the preparation of cholesteric liquid crystal (CLC) having an aggregation-induced-emission dye.

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