4-Acetylbenzoic Acid → 4-[1-(6-Acetyl-benzo [1,3] dioxol-5-ylamino)-ethyl]-N-(2-amino-phenyl)-benzamide

HRID 416265

반응식

HRID 416265 반응식
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=[O:28])[C:10]1[CH:15]=[CH:14][C:13]([CH2:16]NC2C=CC(S(C)(=O)=O)=CC=2)=[CH:12][CH:11]=1.[NH2:29][C:30]1[C:31]([C:39](=[O:41])[CH3:40])=[CH:32][C:33]2[O:37][CH2:36][O:35][C:34]=2[CH:38]=1.[C:42](C1C=CC(C(O)=O)=CC=1)(=O)C>>[C:39]([C:31]1[C:30]([NH:29][CH:16]([C:13]2[CH:12]=[CH:11][C:10]([C:9]([NH:8][C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[NH2:1])=[O:28])=[CH:15][CH:14]=2)[CH3:42])=[CH:38][C:34]2[O:35][CH2:36][O:37][C:33]=2[CH:32]=1)(=[O:41])[CH3:40]

참가 물질

4

반응물 3

HCID 114704-Acetylbenzoic AcidHCID 1200001-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-oneHCID 66622022N-(2-Amino-phenyl)-4-[(4-methanesulfonyl-phenylamino)-methyl]-benzamide

생성물 1

HCID 589305444-[1-(6-Acetyl-benzo [1,3] dioxol-5-ylamino)-ethyl]-N-(2-amino-phenyl)-benzamide

실험 절차

Title compound 240 was prepared using the same procedures as described for the compound 212a, example 99 (scheme 42, table 1), starting from 1-(6-amino-benzo[1,3]dioxol-5-yl)-ethanone and 4-acetylbenzoic acid (scheme 51). 1H NMR: (DMSO-d6) δ(ppm): 8.69 (s, 1H), 7.03 (d, J=7.8 Hz, 2H), 6.64 (d, J=7.8 Hz, 2H), 6.29 (dd, J=8.3, 7.8 Hz, 1H), 6.09 (t, J=7.8, 7.3 Hz, 1H), 5.90 (d, J=7.8, 1H), 5.72 (d, J=6.8 Hz, 1H), 5.70 (s, 1H), 5.16 (d, J=8.8 Hz, 1H), 4.88 (s, 1H), 4.84 (s, 1H), 4.07 (bd, 1H), 2.30 (s, 3H), 0.62 (d, J=6.83, 3H).

출처 및 근거

ORD 기록
ord-cf0b36dbc65a4824ac1bd614b7f4d1af
출처 데이터셋
uspto-grants-2012_01
특허 번호
US08088805B2

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