1,1,1-Trimethoxypropane → HCID 178437396, compound

HRID 241102Notes

Reaction equation

HRID 241102 reaction equation
[C:1](OC)(OC)(OC)[CH2:2][CH3:3].[CH3:10][C:11]1([CH3:40])[CH2:20][CH2:19][C:18]2[N:17]=[CH:16][N:15]=[C:14]([N:21]3[CH2:27][C:26]4[CH:28]=[C:29]([C:32]5[CH:33]=[C:34]([NH2:39])[C:35]([NH2:38])=[N:36][CH:37]=5)[CH:30]=[CH:31][C:25]=4[O:24][CH2:23][CH2:22]3)[C:13]=2[CH2:12]1>>[CH3:10][C:11]1([CH3:40])[CH2:20][CH2:19][C:18]2[N:17]=[CH:16][N:15]=[C:14]([N:21]3[CH2:27][C:26]4[CH:28]=[C:29]([C:32]5[CH:33]=[C:34]6[N:39]=[C:1]([CH2:2][CH3:3])[NH:38][C:35]6=[N:36][CH:37]=5)[CH:30]=[CH:31][C:25]=4[O:24][CH2:23][CH2:22]3)[C:13]=2[CH2:12]1

Participants

3

Reactant 2

HCID 1411451,1,1-TrimethoxypropaneHCID 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 178437396HCID 178437396, compound

Procedure

Prepared according to the method of example 4 by omitting step 3, and using trimethyl orthopropionate 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): 8.77 (br, 1H), 8.34 (s, 1H), 8.06 (s, 1H), 7.59 (s, 1H), 7.50 (d, 1H), 7.09 (d, 1H), 4.74 (s, 2H), 4.38 (m, 2H), 3.94 (m, 2H), 2.97 (q, 2H), 2.77 (t, 2H), 2.47 (s, 2H), 1.67 (t, 2H), 1.26 (t, 3H), 0.90 (s, 6H); MS (EI) for C27H30N6O: 455 (MH+).

Workup

  1. customPrepared

Sources & evidence

ORD record
ord-2f182ea403234c92af3e918fc38f237b
Source dataset
uspto-grants-2014_02
Patent number
US08648066B2

Reaction notes

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