2-Fluorophenyl isocyanate → HCID 49779770, compound

HRID 449421Notes

Reaction equation

HRID 449421 reaction equation
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]=[C:9]=[O:10].Cl.[CH3:12][N:13]1[CH2:18][CH2:17][N:16]([C:19]2[CH:24]=[C:23]([C:25]3[CH:34]=[C:33]4[C:28]([CH2:29][CH2:30][NH:31][CH2:32]4)=[CH:27][CH:26]=3)[N:22]=[C:21]([NH2:35])[N:20]=2)[CH2:15][CH2:14]1>>[NH2:35][C:21]1[N:22]=[C:23]([C:25]2[CH:34]=[C:33]3[C:28]([CH2:29][CH2:30][N:31]([C:9]([NH:8][C:3]4[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=4[F:1])=[O:10])[CH2:32]3)=[CH:27][CH:26]=2)[CH:24]=[C:19]([N:16]2[CH2:15][CH2:14][N:13]([CH3:12])[CH2:18][CH2:17]2)[N:20]=1

Participants

3

Reactant 2

HCID 855882-Fluorophenyl isocyanateHCID 675414894-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt

Product 1

HCID 49779770HCID 49779770, compound

Procedure

This compound was prepared by using procedures analogous to those described for the synthesis of Example 5 starting from 1-fluoro-2-isocyanatobenzene (Aldrich, Cat. #159352) and 4-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt. Analytic LCMS (M+H)+: m/z=462.2.

Workup

  1. customThis compound was prepared

Sources & evidence

ORD record
ord-13449fff815444edbfd72ff2872c18c3
Source dataset
uspto-grants-2013_07
Patent number
US08481732B2

Reaction notes

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