tert-Butyl Formate → HCID 69935070, compound

HRID 874959Notes

Reaction equation

HRID 874959 reaction equation
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][N:3]=1.[CH3:10][C:11]1([CH3:24])[NH:16][CH2:15][CH2:14][N:13]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:12]1.C(OC(C)(C)C)=O>>[C:6]([C:5]1[CH:8]=[CH:9][C:2]([N:16]2[CH2:15][CH2:14][N:13]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:12][C:11]2([CH3:24])[CH3:10])=[N:3][CH:4]=1)#[N:7]

Participants

4

Reactant 3

HCID 61207tert-Butyl FormateHCID 50057186-Bromopyridine-3-carbonitrileHCID 227103871-Boc-3,3-dimethylpiperazine

Product 1

HCID 69935070HCID 69935070, compoundYield 43%

Procedure

This compound was synthesized from 6-bromonicotinonitrile and tert-butyl 3,3-dimethylpiperazine-1-carboxylate as described for example 43 step 1 (0.12 g, yield 43%). 1H NMR (300 MHz, CDCl3) δ 8.42 (d, J=1.5 Hz, 1H), 7.59 (dd, J=9.0 Hz, J=2.2 Hz, 1H), 6.64 (d, J=9.0 Hz, 1H), 3.89-3.82 (m, 2H), 3.58-3.51 (m, 4H), 1.52 (s, 6H), 1.49 (s, 9H). MS (ESI) m/z: Calculated for C17H24N4O2: 316.19. found: 217.2 (M+H-Boc)+

Sources & evidence

ORD record
ord-d33cf1dc491747ec8d8be4369869cde8
Source dataset
uspto-grants-2015_03
Patent number
US08981084B2

Reaction notes

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