4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester → tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-7-yl)piperidine-1-carboxylate

HRID 64288

반응식

HRID 64288 반응식
[C:1]([CH:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:6][CH2:5]1)(=O)[CH3:2].NC1NN=C(C2C=CC(OC3C=CC=CC=3)=CC=2)C=1C#N.NC1C=C(C2N3N=C(C4C=CC(OC5C=CC=CC=5)=CC=4)C(C#N)=C3N=CC=2)C=CC=1.ClCCC(NC1C=C(C2[N:86]3[N:87]=[C:88]([C:93]4[CH:98]=[CH:97][C:96]([O:99][C:100]5[CH:105]=[CH:104][CH:103]=[CH:102][CH:101]=5)=[CH:95][CH:94]=4)[C:89]([C:90]([NH2:92])=[O:91])=[C:85]3[NH:84][CH2:83]C2)C=CC=1)=O>>[C:13]([O:12][C:10]([N:7]1[CH2:8][CH2:9][CH:4]([CH:1]2[N:86]3[N:87]=[C:88]([C:93]4[CH:98]=[CH:97][C:96]([O:99][C:100]5[CH:105]=[CH:104][CH:103]=[CH:102][CH:101]=5)=[CH:95][CH:94]=4)[C:89]([C:90]([NH2:92])=[O:91])=[C:85]3[NH:84][CH2:83][CH2:2]2)[CH2:5][CH2:6]1)=[O:11])([CH3:16])([CH3:15])[CH3:14]

참가 물질

5

반응물 4

HCID 109879834-Acetyl-piperidine-1-carboxylic acid tert-butyl esterHCID 1176681877-(3-Aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrileHCID 1362142937-(3-(3-Chloropropanamido)phenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamideHCID 178509389HCID 178509389, 화합물

생성물 1

HCID 136983686tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-7-yl)piperidine-1-carboxylate

실험 절차

The desired product was prepared from tert-butyl 4-acetylpiperidine-1-carboxylate and 5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile according to the procedures for 7-(3-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (step 4 to 5) and compound 2 (step 1 and 2) under appropriate conditions recognized by one of ordinary skill in the art. 1H NMR (CD3OD-d4) δ 7.40 (d, J=8.4 Hz, 2H), 7.32-7.25 (m, 2H), 7.06 (t, J=7.6 Hz, 1H), 7.01-6.94 (m, 4H), 4.10-4.00 (m, 2H), 3.98-3.91 (m, 1H), 3.35-3.30 (m, 2H), 2.70-2.58 (m, 2H), 2.18-2.02 (m, 2H), 2.02-1.84 (m, 1H), 1.65-1.45 (m, 2H), 1.39-1.12 (m, 2H), 1.35 (s, 9H). MS (ESI) m/e [M+1]+ 518.0.

출처 및 근거

ORD 기록
ord-c227b469aa9a4bde8e08ad348b813a10
출처 데이터셋
uspto-grants-2016_09
특허 번호
US09447106B2

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