HCID 10097584, compound → HCID 10029543, compound

HRID 1294738Notes

Reaction equation

HRID 1294738 reaction equation
[NH2:1][C:2]1[CH:3]=[C:4]([C@H:8]([N:22]2[CH2:27][CH2:26][N:25]([CH2:28][CH:29]3[CH2:31][CH2:30]3)[CH2:24][CH2:23]2)[C:9]2[CH:21]=[CH:20][C:12]([C:13]([N:15]([CH2:18][CH3:19])[CH2:16][CH3:17])=[O:14])=[CH:11][CH:10]=2)[CH:5]=[CH:6][CH:7]=1.C(N(CC)C(=O)C1C=CC([C@@H](N2CCN(CC=C)CC2)C2C=CC=C(N[CH2:50][C:51]3[S:52][CH:53]=[CH:54][CH:55]=3)C=2)=CC=1)C>CO>[CH:29]1([CH2:28][N:25]2[CH2:26][CH2:27][N:22]([C@@H:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([NH:1][CH2:50][C:51]4[S:52][CH:53]=[CH:54][CH:55]=4)[CH:3]=3)[C:9]3[CH:21]=[CH:20][C:12]([C:13]([N:15]([CH2:18][CH3:19])[CH2:16][CH3:17])=[O:14])=[CH:11][CH:10]=3)[CH2:23][CH2:24]2)[CH2:30][CH2:31]1

Participants

4

Reactant 2

HCID 10097584HCID 10097584, compoundHCID 10319981HCID 10319981, compound

Product 1

HCID 10029543HCID 10029543, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Procedure

Synthesized using COMPOUND 68 and the method described for COMPOUND 69. Purity (HPLC): >99%; Optical purity (Chiral HPLC): >99%; (400 MHz, CD3OD) 0.39-0.44 (m, 2H), 0.72-0.78 (m, 2H), 1.04-1.10 (m, 1H), 1.07-1.11 (m, 3H), 1.22 (t, J=6.99 Hz, 3H), 2.20-2.36 (m, 2H), 2.91-3.08 (m, 2H), 3.04 (d, J=7.49 Hz, 2H), 3.06-3.19 (m, 2H), 3.21-3.30 (m, 2H), 3.46-3.60 (m, 4H), 4.33 (s, 1H), 4.52 (s, 2H), 6.62 (dd, J=8.00, 2.44 Hz, 1H), 6.77 (d, J=7.58 Hz, 1H), 6.83 (t, J=1.81 Hz, 1H), 6.94 (dd, J=5.04, 3.53 Hz, 1H), 6.98-7.00 (m, 1H), 7.07 (t, J=7.80 Hz, 1H), 7.25 (dd, J=5.00, 122 Hz, 1H), 7.30 (d, J=8.17 Hz, 2H), 7.50 (d, J=8.16 Hz, 2H). Found. C, 53.58; H, 5.46; N, 7.10. C31H40N4OS×0.70H2O 2.4CF3COOH has C, 53.55; H, 5.50; N, 6.98%. [a]D20=−19.74 deg [c 0.947, MeOH]

Workup

  1. customSynthesized

Sources & evidence

ORD record
ord-4cc86b2fbe4144e881e06efaf4c8d31d
Source dataset
uspto-grants-2007_07
Patent number
US07241764B2

Reaction notes

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