N-BENZYLCINCHONIDINIUM CHLORIDE

CAS No.
69257-04-1
CCD No.
CCD00051698
Formula
C26 H29 N2 O . Cl
MolWeight
420.981

Basic Information

Product Name: N-BENZYLCINCHONIDINIUM CHLORIDE
CAS: 69257-04-1
English Synonyms: N-BENZYLCINCHONIDINIUM CHLORIDE [CHIRAL PHASE-TRANSFER CATALYST] 98+% ; (8S,9R)-(-)-N-BENZYLCINCHONIDINIUM CHLORIDE ; N-BENZYLCINCHONIDINIUM CHLORIDE ; N-BENZYL CHLORIDECINCHONIDINE ; BCDC
MDL Number.: MFCD00082422
H bond acceptor: 3
H bond donor: 1
Smile: C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cccc4)O)Cc5ccccc5.[Cl-]
InChi: InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1
InChiKey: InChIKey=FCHYSBWCOKEPNQ-IOPLZPHGSA-M

Property

Melting Point: 210 DEG C (DEC)(LIT)/210 °C (dec.)(lit.)
Comments: OPTICAL ACTIVITY: [ALPHA]20/D -180 DEG, C = 1.3 IN H2O
OTHER NOTES: CHIRAL PHASE TRANSFER CATALYST. RESOLUTIONS BY CRYSTALLIZATION OF THE INCLUSION COMPLEX
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26
WGK Germany: 3