Difluoroacetic acid → HCID 178423987, compound

HRID 241103Notes

Reaction equation

HRID 241103 reaction equation
[F:1][CH:2]([F:6])[C:3](O)=O.[CH3:7][C:8]1([CH3:37])[CH2:17][CH2:16][C:15]2[N:14]=[CH:13][N:12]=[C:11]([N:18]3[CH2:24][C:23]4[CH:25]=[C:26]([C:29]5[CH:30]=[C:31]([NH2:36])[C:32]([NH2:35])=[N:33][CH:34]=5)[CH:27]=[CH:28][C:22]=4[O:21][CH2:20][CH2:19]3)[C:10]=2[CH2:9]1>>[F:1][CH:2]([F:6])[C:3]1[NH:35][C:32]2=[N:33][CH:34]=[C:29]([C:26]3[CH:27]=[CH:28][C:22]4[O:21][CH2:20][CH2:19][N:18]([C:11]5[C:10]6[CH2:9][C:8]([CH3:37])([CH3:7])[CH2:17][CH2:16][C:15]=6[N:14]=[CH:13][N:12]=5)[CH2:24][C:23]=4[CH:25]=3)[CH:30]=[C:31]2[N:36]=1

Participants

3

Reactant 2

HCID 9788Difluoroacetic acidHCID 668201845-[4-(6,6-Dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]pyridine-2,3-diamine

Product 1

HCID 178423987HCID 178423987, compound

Procedure

Prepared according to the method of example 4 by omitting step 3, and using difluoroacetic acid and 5-[4-(6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]pyridine-2,3-diamine in step 4. 1H NMR (400 MHz, Methanol-d4): 8.70 (br, 1H), 8.34 (s, 1H), 8.23 (s, 1H), 7.64 (s, 1H), 7.55 (d, 1H), 7.12 (d, 1H), 7.05 (t, 1H), 4.63 (s, 2H), 4.37 (m, 2H), 3.95 (m, 2H), 2.79 (t, 2H), 2.49 (s, 2H), 1.66 (t, 2H), 0.88 (s, 6H); MS (EI) for C26H26F2N6O: 477 (MH+).

Workup

  1. customPrepared

Sources & evidence

ORD record
ord-3909f3dd389b4ac1bc48492a32da12a6
Source dataset
uspto-grants-2014_02
Patent number
US08648066B2

Reaction notes

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