1,2-Benzisothiazol-3(2H)-one → 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amide

HRID 736620

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.[N-:11]=[C:12]=[O:13]>>[CH3:3][CH:4]([CH3:9])[CH2:5][CH2:6][CH2:7][CH2:8][NH:11][C:12]([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:13]

참가 물질

반응물 2

HCID 175201,2-Benzisothiazol-3(2H)-one

HCID 105034Isocyanate

생성물 1

HCID 112433103-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amide

실험 절차

Following the synthetic procedure of 6a as described in Example 1, compound 6f was synthesized from benzo[d]isothiazol-3-one and isocyanate 4a′ as a white solid. mp 49-51° C.; IR(CHCl3) 3289, 1711, 1662, 1538 cm−1; 1H-NMR (DMSO-d6) δ0.84 (d, J=6.6 Hz, 6H), 1.13-1.20 (m, 2H), 1.26-1.32 (m, 2H), 1.47-1.55 (m, 3H), 3.28-3.34 (m, 2H), 7.47 (t, J=7.9 Hz, 1H), 7.78 (t, J=7.9 Hz, 1H), 7.93 (d, J=7.9 Hz, 1H), 8.00 (d, J=7.9 Hz, 1H), 8.84 (br t, J=5.5 Hz, 1H); ESIMS m/e 293 (M++1).

출처 및 근거

ORD 기록: ord-e2d5aa2b93784d2fa488772cc10c931b
출처 데이터셋: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US07595403B2

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