Pentanenitrile, 4,4-dimethyl-3-oxo- → methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate

반응식

[NH:1]([C:3]1[CH:12]=[CH:11][C:6]([C:7]([O:9][CH3:10])=[O:8])=[CH:5][CH:4]=1)[NH2:2].[C:13]([CH2:19][C:20]#[N:21])(=O)[C:14]([CH3:17])([CH3:16])[CH3:15]>>[C:14]([C:13]1[CH:19]=[C:20]([NH2:21])[N:1]([C:3]2[CH:4]=[CH:5][C:6]([C:7]([O:9][CH3:10])=[O:8])=[CH:11][CH:12]=2)[N:2]=1)([CH3:17])([CH3:16])[CH3:15]

참가 물질

반응물 2

HCID 108871Pentanenitrile, 4,4-dimethyl-3-oxo-

HCID 408928Methyl 4-hydrazinylbenzoate

생성물 1

HCID 2973426methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate

실험 절차

Methyl 4-(3-tert-butyl-5-amino-1H-pyrazol-1-yl)benzoate (3.67 mmol) was prepared from methyl 4-hydrazinobenzoate and pivaloylacetonitrile by the procedure of Regan, et al., J. Med. Chem., 45, 2994 (2002).

출처 및 근거

ORD 기록: ord-d35eac2e44ba475994af93c98b15dfab
출처 데이터셋: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US07737283B2

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