Trifluoroacetate → HCID 68895880, compound

HRID 1453863Notes

Reaction equation

FC(F)(F)C([O-])=O.[CH2:8]([O:15][C:16]1[C:17]([C:34]([OH:36])=O)=[N:18][N:19]2[CH2:24][CH2:23][N:22]([CH2:25][C:26]3[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=3)[C:21](=[O:33])[C:20]=12)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[NH2:37][CH2:38][CH2:39][N:40]1[CH2:45][CH2:44][O:43][CH2:42][CH2:41]1>>[CH2:8]([O:15][C:16]1[C:17]([C:34]([NH:37][CH2:38][CH2:39][N:40]2[CH2:45][CH2:44][O:43][CH2:42][CH2:41]2)=[O:36])=[N:18][N:19]2[CH2:24][CH2:23][N:22]([CH2:25][C:26]3[CH:27]=[CH:28][C:29]([F:32])=[CH:30][CH:31]=3)[C:21](=[O:33])[C:20]=12)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1

Participants

Reactant 3

HCID 84468Trifluoroacetate

HCID 4082852-Morpholinoethylamine

HCID 689558023-Benzyloxy-5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

Product 1

HCID 68895880HCID 68895880, compound

Procedure

The title compound was prepared as the trifluoroacetate salt from 3-benzyloxy-5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid using a procedure similar to that found in Example 15, Step 1, except that 4-(2-aminoethyl)morpholine was used in place of 1,2,3,4-tetrahydroisoquinoline. 1H NMR (400 MHz, CDCl3) δ 7.70-7.67 (t, 1H), 7.48-7.46 (m, 2H), 7.36-7.27 (m, 5H), 7.08-7.04 (m, 2H), 5.46 (s, 2H), 5.30 (s, 2H), 4.74 (s, 2H), 4.28-4.25 (t, 2H), 3.96 (br s, 4H), 3.78-3.68 (m, 4H), 3.61-3.58 (t, 2H), 3.30-3.26 (t, 2H); ES MS (M+1)=508.

Sources & evidence

ORD record: ord-1f34efaf48204b9f87f0ce230d0b7b9a
Source dataset: uspto-grants-2009_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07476666B2

Reaction notes

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