(S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL

CAS No.
951008-65-4
CCD No.
CCD03286743
Formula
C31 H25 F12 N3 O2
MolWeight
699.534

Basic Information

Product Name: (S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL
CAS: 951008-65-4
English Synonyms: (S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL ; CHIRAL DMAP ; [(2S)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL]-1-PYRROLIDINYL][4-(1-PYRROLIDINYL)-3-PYRIDINYL]METHANONE
MDL Number.: MFCD17015289
H bond acceptor: 5
H bond donor: 1
Smile: c1cncc(c1N2CCCC2)C(=O)N3CCC[C@H]3C(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)(c5cc(cc(c5)C(F)(F)F)C(F)(F)F)O
InChi: InChI=1S/C31H25F12N3O2/c32-28(33,34)19-10-17(11-20(14-19)29(35,36)37)27(48,18-12-21(30(38,39)40)15-22(13-18)31(41,42)43)25-4-3-9-46(25)26(47)23-16-44-6-5-24(23)45-7-1-2-8-45/h5-6,10-16,25,48H,1-4,7-9H2/t25-/m0/s1
InChiKey: InChIKey=LVJPWYSGCCTYAC-VWLOTQADSA-N

Property

Comments: ASSAY METHOD: HPLC
OPTICAL ACTIVITY: [ALPHA]/D -50.0+/-3.0 DEG, C = 1 IN ETHANOL
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

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