HCID 19760205, 화합물 → 1-Ethyl-5,5-dimethyl-8-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 1687901노트

반응식

HRID 1687901 반응식
CN1C(=O)CCC(C)(C)[C:4]2C=C([N+]([O-])=O)C=C[C:3]1=2.[CH3:19][C:20]1([CH3:35])[CH2:26][CH2:25][C:24](=[O:27])[NH:23][C:22]2[CH:28]=[C:29]([N+:32]([O-:34])=[O:33])[CH:30]=[CH:31][C:21]1=2>>[CH2:3]([N:23]1[C:24](=[O:27])[CH2:25][CH2:26][C:20]([CH3:35])([CH3:19])[C:21]2[CH:31]=[CH:30][C:29]([N+:32]([O-:34])=[O:33])=[CH:28][C:22]1=2)[CH3:4]

참가 물질

3

반응물 2

HCID 19760205HCID 19760205, 화합물HCID 578538535,5-Dimethyl-8-nitro-4,5-dihydro-1H-benzo[B]azepin-2(3H)-one

생성물 1

HCID 672648051-Ethyl-5,5-dimethyl-8-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

실험 절차

1-Ethyl-5,5-dimethyl-8-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one was prepared in a manner analogous to the preparation of 1,5,5-Trimethyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one using 5,5-Dimethyl-8-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one as starting material to yield a yellow solid (65%). mp 83° C.; LCMS: m/z=263.05 (M+H+), 1H NMR (400 MHz, CDCl3) δ 8.11 (m, 1H), 8.06 (m, 1H), 7.60 (d, 1H, J=8.6 Hz), 3.91 (m, 2H), 2.32 (m, 2H), 1.42 (s, 6H), 1.38 (m, 3H).

출처 및 근거

ORD 기록
ord-080d9f3f798444ea80ce2087347bd3b9
출처 데이터셋
uspto-grants-2012_04
특허 번호
US08148391B2

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