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CAS Number: 1072854-55-7
(S)-3-(dibenzylamino)chroman-5-yl trifluoromethanesulfonate

Structure

(S)-3-(dibenzylamino)chroman-5-yl trifluoromethanesulfonate
Name: (S)-3-(dibenzylamino)chroman-5-yl trifluoromethanesulfonate
Synonyms:
General Information
Product Number: 1072854557

CAS Registry Number 1072854-55-7
Name:
Methanesulfonic acid, 1,?1,?1-?trifluoro-?, (3S)?-?3-?[bis(phenylmethyl)?amino]?-?3,?4-?dihydro-?2H-?1-?benzopyran-?5-?yl ester
(3S)-3-(Dibenzylamino)-3,4-dihydro-2H-chromen-5-yl trifluoromethanesulfonate

 

Chemical Formula: C24H22F3NO4S
Exact Mass: 477.12
Molecular Weight: 477.50
m/z: 477.12 (100.0%), 478.13 (26.4%), 479.12 (4.8%), 479.13 (4.2%), 480.12 (1.2%), 478.12 (1.2%)

 

InChI:InChI=1S/C24H22F3NO4S/c25-24(26,27)33(29,30)32-23-13-7-12-22-21(23)14-20(17-31-22)28(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-13,20H,14-17H2/t20-/m0/s1

InChI Key:SONZRKCXHPBENX-FQEVSTJZSA-N

Canonical SMILES:C1C(COC2=C1C(=CC=C2)OS(=O)(=O)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Specification

98%

References

PCT Int. Appl. (2008), WO 2008130321 A2 20081030. 

PCT Int. Appl. (2008), WO 2008130319 A2 20081030.  

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