3,5-Xylyl isocyanate → HCID 59894925, compound

HRID 2184735Notes

Reaction equation

HRID 2184735 reaction equation
C1C2C(CO[C:16]([NH:18][C@H:19]([C:36]([O:38][CH3:39])=[O:37])[CH2:20][S:21][CH2:22][CH:23]([C:28](=[O:35])[C:29]3[CH:30]=[N:31][CH:32]=[CH:33][CH:34]=3)[CH2:24][C:25]([OH:27])=[O:26])=[O:17])C3C(=CC=CC=3)C=2C=CC=1.[CH3:40][C:41]1[CH:42]=[C:43]([N:48]=C=O)[CH:44]=[C:45]([CH3:47])[CH:46]=1>>[CH3:40][C:41]1[CH:42]=[C:43]([NH:48][C:16]([NH:18][C@H:19]([C:36]([O:38][CH3:39])=[O:37])[CH2:20][S:21][CH2:22][CH:23]([C:28](=[O:35])[C:29]2[CH:30]=[N:31][CH:32]=[CH:33][CH:34]=2)[CH2:24][C:25]([OH:27])=[O:26])=[O:17])[CH:44]=[C:45]([CH3:47])[CH:46]=1

Participants

3

Reactant 2

HCID 5214883,5-Xylyl isocyanateHCID 70109626HCID 70109626, compound

Product 1

HCID 59894925HCID 59894925, compoundYield 2.4%

Procedure

The title compound was prepared from 3-({(2R)-2-[(fluoren-9-ylmethoxy)carbonylamino]-2-(methoxycarbonyl)ethylthio} methyl)-4-oxo-4-(3-pyridyl)butanoic acid and 3,5-dimethylphenyl isocyanate as described in Example 16 in a 2.4% yield; ESMS, (M+1)+474.

Sources & evidence

ORD record
ord-e876672ecdbe47c1adfe6b67c4f2f55a
Source dataset
uspto-grants-2002_06
Patent number
US06399606B1

Reaction notes

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