[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[di(1-naphthyl)methanol] - CAS 171086-52-5

Name: [(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[di(1-naphthyl)methanol]
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012713
Product Name:	[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[di(1-naphthyl)methanol]
CAS:	171086-52-5
Synonyms:	[(4S,5S)-5-[hydroxy-bis(1-naphthalenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(1-naphthalenyl)methanol; [(4S,5S)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-1-ylmethanol

Technical Data

IUPAC Name:	[(4S,5S)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-1-ylmethanol
Description:	[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[di(1-naphthyl)methanol] (CAS# 171086-52-5 ) is a useful research chemical.
Molecular Weight:	666.80
Molecular Formula:	C47H38O4
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
InChI:	InChI=1S/C47H38O4/c1-45(2)50-43(46(48,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(49,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42/h3-30,43-44,48-49H,1-2H3/t43-,44-/m0/s1
InChI Key:	WTZVNZRNIOJACO-CXNSMIOJSA-N
Melting Point:	200 °C
Purity:	99 %
Density:	1.27 g/cm³
Solubility:	Soluble in ethyl acetate
Storage:	Inert atmosphere. Keep cold.
MDL:	MFCD00192091
LogP:	9.99150

Publication Number	Title	Priority Date
EP-2647616-A1	Method for manufacturing optically active menthol	20101201
US-2013253228-A1	Method for manufacturing optically active menthol	20101201
US-9061959-B2	Method for manufacturing optically active menthol	20101201
EP-2390001-A1	Organoaluminium compounds and their use as catalysts in the selective cyclisation of citronellal to isopulegol	20100525
US-2011295031-A1	Organoaluminum compound	20100525

Complexity:	1020
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	666.27700969
Formal Charge:	0
Heavy Atom Count:	51
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	666.27700969
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10.2