Ethyl isocyanate → HCID 59239407, compound

HRID 1697970Notes

Reaction equation

HRID 1697970 reaction equation
C[C@H]1COCCN1.[CH3:8][C@H:9]1[CH2:14][O:13][CH2:12][CH2:11][N:10]1[C:15]1[C:16]2[CH2:33][CH2:32][NH:31][CH2:30][C:17]=2[N:18]=[C:19]([C:21]2[CH:26]=[CH:25][C:24]([N+:27]([O-])=O)=[CH:23][CH:22]=2)[N:20]=1.C[C@H]1COCCN1C1C2[CH2:58][NH:57][CH2:56][C:43]=2[N:44]=C(C2C=CC([N+]([O-])=O)=CC=2)N=1.[CH2:59]([N:62]=[C:63]=[O:64])[CH2:60]C.C(N=C=O)C>>[CH2:59]([NH:62][C:63]([NH:27][C:24]1[CH:25]=[CH:26][C:21]([C:19]2[N:20]=[C:15]([N:10]3[CH2:11][CH2:12][O:13][CH2:14][C@@H:9]3[CH3:8])[C:16]3[CH2:33][N:31]([C:32]4[N:57]([CH3:58])[CH:56]=[CH:43][N:44]=4)[CH2:30][C:17]=3[N:18]=2)=[CH:22][CH:23]=1)=[O:64])[CH3:60]

Participants

6

Reactant 5

HCID 8022Ethyl isocyanateHCID 61033Propyl isocyanateHCID 12012220(3S)-3-methylmorpholineHCID 59239109HCID 59239109, compoundHCID 67176961HCID 67176961, compound

Product 1

HCID 59239407HCID 59239407, compound

Procedure

The title compound was prepared by the procedures described in Example 1, steps 1-5 of Example 259, and steps 1 and 2 of Example 27, by substituting morpholine with (S)-3-methylmorpholine in Example 1, (S)-3-methyl-4-(2-(4-nitrophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine with (S)-3-methyl-4-(2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine in step 1 of Example 259, and propyl isocyanate with ethyl isocyanate in step 2 of Example 27, and: LC-MS: m/z=+463 (M+H)+.

Sources & evidence

ORD record
ord-ac23d6ea9f014e9982a9dd953ff8392d
Source dataset
uspto-grants-2012_04
Patent number
US08163763B2

Reaction notes

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