2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) → HCID 178485755, compound

HRID 1290076Notes

Reaction equation

HRID 1290076 reaction equation
[CH:1]1([CH2:7][C@H:8]([NH:19][C:20](=[O:49])[C@H:21]([CH2:43][C:44]2[N:48]=[CH:47][NH:46][CH:45]=2)[N:22]([CH3:42])[C:23](=[O:41])[C@H:24]([CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[NH:25][C:26]([N:28]2[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]2)=[O:27])[C@@H:9]([OH:18])[CH2:10][C@H:11]2[C:15]([CH3:17])([CH3:16])[O:14][CH2:13][O:12]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.O.[C:51]([OH:63])(=[O:62])[CH2:52][C:53]([CH2:58][C:59]([OH:61])=[O:60])([C:55]([OH:57])=[O:56])[OH:54]>C(OCC)(=O)C>[C:51]([OH:63])(=[O:62])[CH2:52][C:53]([CH2:58][C:59]([OH:61])=[O:60])([C:55]([OH:57])=[O:56])[OH:54].[CH:1]1([CH2:7][C@H:8]([NH:19][C:20](=[O:49])[C@H:21]([CH2:43][C:44]2[N:48]=[CH:47][NH:46][CH:45]=2)[N:22]([CH3:42])[C:23](=[O:41])[C@H:24]([CH2:34][C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)[NH:25][C:26]([N:28]2[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]2)=[O:27])[C@@H:9]([OH:18])[CH2:10][C@H:11]2[C:15]([CH3:17])([CH3:16])[O:14][CH2:13][O:12]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1

Participants

4

Reactant 2

HCID 222302-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)HCID 178485751HCID 178485751, compound

Product 1

HCID 178485755HCID 178485755, compoundYield 66.8%

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent2×

Procedure

The compound (300 mg) obtained in Example 1 was dissolved in ethyl acetate (3 ml) and a solution of citric acid monohydrate (92.7 mg) in ethyl acetate (5 ml) was dropwise added. After stirring at room temperature for 15 minutes, crystals were collected by filtration and dried under reduced pressure to give 257 mg of the title compound as white crystals (see Table 16).

Workup

  1. filtrationcrystals were collected by filtration
  2. customdried under reduced pressure

Sources & evidence

ORD record
ord-ac2956440f2c436b8061b3693b6a8fb3
Source dataset
uspto-grants-1998_05
Patent number
US05750696

Reaction notes

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