Beta-Alanine → 3-{[7-(4-Fluoro-benzoylamino)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid

HRID 1481130Notes

Reaction equation

C(O[C:4]([C:6]1[N:7]=[CH:8][C:9]2[C:14]([C:15]=1[OH:16])=[CH:13][CH:12]=[C:11]([NH:17][C:18](=[O:26])[C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)[CH:10]=2)=[O:5])C.[NH2:27][CH2:28][CH2:29][C:30]([OH:32])=[O:31]>>[F:25][C:22]1[CH:23]=[CH:24][C:19]([C:18]([NH:17][C:11]2[CH:10]=[C:9]3[C:14]([C:15]([OH:16])=[C:6]([C:4]([NH:27][CH2:28][CH2:29][C:30]([OH:32])=[O:31])=[O:5])[N:7]=[CH:8]3)=[CH:13][CH:12]=2)=[O:26])=[CH:20][CH:21]=1

Participants

Reactant 2

HCID 239Beta-Alanine

HCID 898129887-(4-Fluoro-benzoylamino)-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester

Product 1

HCID 717359443-{[7-(4-Fluoro-benzoylamino)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid

Procedure

3-{[7-(4-Fluoro-benzoylamino)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid was prepared from 7-(4-Fluoro-benzoylamino)-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester under conditions analogous to Example 116(b) using beta-alanine. MS ESI(−) m/e: 395.9953 (M−1).

Sources & evidence

ORD record: ord-b08ed0a2e82342c6a8b5d41dc2410be7
Source dataset: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09409892B2

Reaction notes

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