Ethanethiol → HCID 59152920, compound

HRID 1645158Notes

Reaction equation

[CH2:1]([O:3][C:4](=[O:31])[CH2:5][N:6]1[C:14]2[CH2:13][CH2:12][CH2:11][C@@H:10]([N:15]([S:17]([C:20]3[CH:25]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:23]=[C:22](F)[CH:21]=3)(=[O:19])=[O:18])[CH3:16])[C:9]=2[CH:8]=[N:7]1)[CH3:2].[CH2:32]([SH:34])[CH3:33]>>[CH2:1]([O:3][C:4](=[O:31])[CH2:5][N:6]1[C:14]2[CH2:13][CH2:12][CH2:11][C@@H:10]([N:15]([S:17]([C:20]3[CH:25]=[C:24]([C:26]([F:27])([F:28])[F:29])[CH:23]=[C:22]([S:34][CH2:32][CH3:33])[CH:21]=3)(=[O:18])=[O:19])[CH3:16])[C:9]=2[CH:8]=[N:7]1)[CH3:2]

Participants

Reactant 2

HCID 6343Ethanethiol

HCID 59152928HCID 59152928, compound

Product 1

HCID 59152920HCID 59152920, compoundYield 86%

Procedure

Starting with {(R)-4-[(3-fluoro-5-trifluoromethyl-benzenesulfonyl)-methyl-amino]-4,5,6,7-tetrahydro-indazol-1-yl}-acetic acid ethyl ester and ethanethiol using a method analogous to the one described for the 1st step of example 7-1, {(R)-4-[(3-ethylsulfanyl-5-trifluoromethyl-benzenesulfonyl)-methyl-amino]-4,5,6,7-tetrahydro-indazol-1-yl}-acetic acid ethyl ester (136 mg, 86%) was obtained as a white solid. MS cald. for C21H26F3N3O4S2 505, obsd. (ESI+) [(M+H)+] 506.

Sources & evidence

ORD record: ord-50d0038c91a347f89df4f905adb658f2
Source dataset: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08124641B2

Reaction notes

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