Benzene, 1-chloro-3-isocyanato- → HCID 70496752, compound

HRID 1045493Notes

Reaction equation

HRID 1045493 reaction equation
[NH2:1][C:2]1[CH:28]=[CH:27][C:5]([O:6][C:7]2[C:16]3[CH2:15][N:14]([CH2:17][C:18]4[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=4)[C:13](=[O:26])[NH:12][C:11]=3[N:10]=[CH:9][CH:8]=2)=[C:4]([F:29])[CH:3]=1.CCN(C(C)C)C(C)C.[Cl:39][C:40]1[CH:41]=[C:42]([N:46]=[C:47]=[O:48])[CH:43]=[CH:44][CH:45]=1>O1CCOCC1>[Cl:39][C:40]1[CH:41]=[C:42]([NH:46][C:47]([NH:1][C:2]2[CH:28]=[CH:27][C:5]([O:6][C:7]3[C:16]4[CH2:15][N:14]([CH2:17][C:18]5[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=5)[C:13](=[O:26])[NH:12][C:11]=4[N:10]=[CH:9][CH:8]=3)=[C:4]([F:29])[CH:3]=2)=[O:48])[CH:43]=[CH:44][CH:45]=1

Participants

5

Reactant 3

HCID 17968Benzene, 1-chloro-3-isocyanato-HCID 81531DiisopropylethylamineHCID 70498061HCID 70498061, compound

Product 1

HCID 70496752HCID 70496752, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

57 (20 mg, 0.05 mmol), DIEA (304, 0.15 mmol), and 3-chlorophenyl isocyanate (9.4 mg, 0.06 mmol) were suspended in dioxane (2 mL), and stirred overnight at room temperature. The crude product was purified directly via HPLC. LC-MS (M+H=548, obsd.=548).

Workup

  1. customThe crude product was purified directly via HPLC

Sources & evidence

ORD record
ord-366e46d251d34e068999ff16015e8cdc
Source dataset
uspto-grants-2013_10
Patent number
US08569295B2

Reaction notes

Loading…