4-Methylthiophene-2-boronic acid → HCID 46211911, 화합물
반응식
Br[C:2]1[N:6]2[N:7]=[C:8]([NH:11][CH2:12][CH2:13][CH3:14])[CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1.[CH3:15][C:16]1[CH:17]=[C:18](B(O)O)[S:19][CH:20]=1>>[CH3:15][C:16]1[CH:17]=[C:18]([C:2]2[N:6]3[N:7]=[C:8]([NH:11][CH2:12][CH2:13][CH3:14])[CH:9]=[CH:10][C:5]3=[N:4][CH:3]=2)[S:19][CH:20]=1참가 물질
3
실험 절차
Prepared from the product of step A and 4-methylthiophene-2-boronic acid according to general procedure 2 providing the title compound (30 mg, 16%) as a brown solid: 1H NMR (500 MHz, CD3OD) δ 7.61 (s, 1H), 7.45 (m, 2H), 6.90 (t, J=1.1 Hz, 1H), 6.55 (d, J=9.6 Hz, 1H), 3.31 (t, J=7.1 Hz, 2H), 2.20 (s, 3H), 1.66 (sext, J=7.2 Hz, 2H), 0.95 (t, J=7.4 Hz, 3H); 13C NMR (125 MHz, CD3OD) δ 155.5, 138.5, 137.6, 130.9, 127.7, 126.8, 125.7, 125.4, 121.4, 113.6, 44.8, 22.9, 15.6, 12.0; HPLC tR=13.5 min (Luna), 98.7%; ES-MS: (M+H)=273 m/z.
출처 및 근거
- ORD 기록
- ord-5cbd50132c584fb281fe3aebafc778d9
- 출처 데이터셋
- uspto-grants-2010_10
- DOI