Hydrochloric Acid → HCID 67150985, compound

HRID 19475Notes

Reaction equation

HRID 19475 reaction equation
[NH2:1][C:2]1[N:3]=[C:4]([NH:21][CH:22]2[CH2:24][CH2:23]2)[C:5]2[S:10][C:9](=[O:11])[N:8]([C@@H:12]3[O:18][C@H:17]([CH2:19][OH:20])[C@@H:15]([OH:16])[C@H:13]3[OH:14])[C:6]=2[N:7]=1.[ClH:25]>O1CCOCC1>[ClH:25].[NH2:1][C:2]1[N:3]=[C:4]([NH:21][CH:22]2[CH2:23][CH2:24]2)[C:5]2[S:10][C:9](=[O:11])[N:8]([C@@H:12]3[O:18][C@H:17]([CH2:19][OH:20])[C@@H:15]([OH:16])[C@H:13]3[OH:14])[C:6]=2[N:7]=1

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 101936675-Amino-7-cyclopropylamino-3-beta-D-ribofuranosylthiazolo[4,5-d]pyrimidin-2-one

Product 1

HCID 67150985HCID 67150985, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

The title compound was prepared by addition of the solid material prepared in step 2 above to vigorously stirring 4 M HCl in dioxane, affording the title compound as a white solid: mp >99° C.; 1H NMR (400 MHz, d6-DMSO) δ 7.25 (d, 1H, J=2.8, 1H), 6.23 (s, 2H), 5.87 (d, J=5.2, 1H), 5.21 (bs, 1H), 4.98 (bs, 1H), 4.73-4.79 (m, 2H), 4.09 (t, J=5.6, 1H), 3.72-3.79 (m, 1H), 3.55-3.60 (m, 1H), 3.45-3.37 (m, 1H), 2.75-2.82 (m, 1H), 0.72-0.79 (m, 2H), 0.55-0.63 (m, 2H). Elemental analysis for C13H17N5O5S.HCl: calc'd: C, 39.85; H, 4.63; N, 17.87; Cl, 9.05; found: C, 39.66; H, 4.85; N, 16.57; Cl, 8.13.

Sources & evidence

ORD record
ord-af88ec9cfa644b1a941224aed4c19f27
Source dataset
uspto-grants-2010_06
Patent number
US07745415B2

Reaction notes

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