(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl Phosphoramide - CAS 1836233-61-4

Catalog:	BB076651
Product Name:	(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl Phosphoramide
CAS:	1836233-61-4
Synonyms:	(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl phosphoramide; N-[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-1,1,1-trifluoromethanesulfonamide; (11bR)-N-(2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide; (11BS)-N-(2,6-bis(3,5-bis(trifluoromethyl)phenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide; N-[(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-oxido-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide

Technical Data

IUPAC Name:	N-[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-oxo-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-1,1,1-trifluoromethanesulfonamide
Description:	(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl Phosphoramide (CAS# 1836233-61-4) is a useful research chemical compound. It is used in 31P NMR based method for determining enantiopurity of chiral phosphoric acids and its application to BINOL- and H8-BINOL-based chiral phosphoric acid thermal racemization studies.
Molecular Weight:	903.55
Molecular Formula:	C37H17F15NO5PS
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI:	InChI=1S/C37H17F15NO5PS/c38-33(39,40)21-9-19(10-22(15-21)34(41,42)43)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35(44,45)46)16-24(12-20)36(47,48)49)32(30)58-59(54,57-31(27)29)53-60(55,56)37(50,51)52/h1-16H,(H,53,54)
InChI Key:	JUOIJQDZNFIXIF-UHFFFAOYSA-N
References:	Tay, J., Naorny, P., Synlett, 27, 551-554 (2016).

Complexity:	1560
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	903.0325532
Formal Charge:	0
Heavy Atom Count:	60
Hydrogen Bond Acceptor Count:	21
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	903.0325532
Rotatable Bond Count:	4
Topological Polar Surface Area:	90.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	12.6