1,2-Benzisothiazol-3(2H)-one → 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid hexylamide

HRID 736619

반응식

HRID 736619 반응식
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3](=[O:10])[NH:2]1.[CH2:11]([N:17]=[C:18]=[O:19])[CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]>>[CH2:11]([NH:17][C:18]([N:2]1[C:3](=[O:10])[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=2[S:1]1)=[O:19])[CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]

참가 물질

3

반응물 2

HCID 175201,2-Benzisothiazol-3(2H)-oneHCID 75659Hexyl isocyanate

생성물 1

HCID 111967113-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid hexylamide

실험 절차

Following the synthetic procedure of 6a as described in Example 1, compound 6e (82% yield) was synthesized from benzo[d]isothiazol-3-one and n-hexyl isocyanate as a white solid. mp 52-53° C.; IR(CHCl3) 3290, 1711, 1662, 1540 cm−1; 1H-NMR (CDCl3) δ0.80-0.87 (m, 3H), 1.21-1.35 (m, 6H), 1.53-1.61 (m, 2H), 3.34-3.40 (m, 2H), 7.36 (t, J=7.6 Hz, 1H), 7.51 (d, J=7.6 Hz, 1H), 7.63 (t, J=7.6 Hz, 1H), 7.95 (d, J=6.9 Hz, 1H), 8.81 (br s, 1H); ESIMS m/e 279 (M++1).

출처 및 근거

ORD 기록
ord-c04f69421ef74237a8301ae99b785a41
출처 데이터셋
uspto-grants-2009_09
특허 번호
US07595403B2

연결된 노트

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