Lithium hydroxide, monohydrate → HCID 70227896, compound

HRID 325250Notes

Reaction equation

HRID 325250 reaction equation
C[O:2][C:3](=[O:39])[C@H:4]([CH2:35][CH2:36][S:37][CH3:38])[NH:5][C:6](=[O:34])[C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH:14]([CH2:19][CH2:20][CH:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)[CH2:15][S:16][CH2:17][CH3:18])=[CH:9][C:8]=1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[CH3:33].O.[OH-].[Li+:42]>>[Li+:42].[CH:21]1([CH2:20][CH2:19][CH:14]([CH2:13][C:10]2[CH:11]=[CH:12][C:7]([C:6]([NH:5][C@H:4]([C:3]([O-:39])=[O:2])[CH2:35][CH2:36][S:37][CH3:38])=[O:34])=[C:8]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[CH3:33])[CH:9]=2)[CH2:15][S:16][CH2:17][CH3:18])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1

Participants

3

Reactant 2

HCID 168937Lithium hydroxide, monohydrateHCID 59953370HCID 59953370, compound

Product 1

HCID 70227896HCID 70227896, compound

Procedure

The product from Example 1300C (46.5 mg, 0.08 mmol) was allowed to react with lithium hydroxide monohydrate (4 mg, 0.08 mmol) in a manner similar to that described in Example 608E to afford the title compound. 1H NMR (DMSO-d6, 300 MHz) δ 0.75-0.88 (m, 2H), 1.08-1.38 (m, 10H), 1.53-2.01 (m, 14H), 2.15 (m, 1H), 2.39-2.49 (m, 4H), 2.57-2.75 (m, 2H), 3.32 (d, partially buried under water peak 2H), 3.66 (m, 1H), 6.86 (d, J=6 Hz, 1H), 6.95 (m, 1H), 7.12-7.26 (m, 4H), 7.47 (d, J=8 Hz, 1H); MS (APCI(−)) m/z: (M−H)− 554; Anal. Calcd for C32H44LiNO3S2.1.75 H2O: C, 64.78; H, 8.07; N, 2.36. Found: C, 64.75; H, 7.40; N, 2.20.

Sources & evidence

ORD record
ord-fd208ebc5b604a9887fb3d158d9c692f
Source dataset
uspto-grants-2001_04
Patent number
US06221865B1

Reaction notes

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