Hexanal → Methyl 2-fluoro-5-(hexyl[4-(phenylethynyl)benzyl]amino}benzoate

HRID 551943노트

반응식

HRID 551943 반응식
[F:1][C:2]1[CH:11]=[CH:10][C:9]([NH:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]#[C:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[CH:16][CH:15]=2)=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[CH:28](=O)[CH2:29][CH2:30][CH2:31][CH2:32][CH3:33]>>[F:1][C:2]1[CH:11]=[CH:10][C:9]([N:12]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH2:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]#[C:21][C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=3)=[CH:16][CH:15]=2)=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5]

참가 물질

3

반응물 2

HCID 6184HexanalHCID 57554560Methyl 2-fluoro-5-{[4-(phenylethynyl)benzyl]amino}benzoate

생성물 1

HCID 57554473Methyl 2-fluoro-5-(hexyl[4-(phenylethynyl)benzyl]amino}benzoate

실험 절차

The title compound was prepared following the procedure described in Example 23 step b) using methyl 2-fluoro-5-{[4-(phenylethynyl)benzyl]amino}benzoate (213 mg, 0.59 mmol) and hexanal (Aldrich, 0.11 mL, 0.95 mmol). The title compound was obtained as a pale yellow oil (215 mg, 82%). HPLC, Rt: 6.1 min (purity: 94.5%). LC/MS, M+(ESI): 444.2. 1H NMR (CDCl3) δ: 7.51-7.44 (m, 4H), 7.32 (m, 3H), 7.17 (m, 3H), 6.92 (dd, J=9.8, 9.7 Hz, 1H), 6.74 (m, 1H), 4.49 (s, 2H), 3.88 (s, 3H), 3.35 (t, J=7.5 Hz, 2H), 1.61 (m, 2H), 1.29 (m, 6H), 0.88 (m, 3H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-4bc296c7745d4226a5be71ee57821744
출처 데이터셋
uspto-grants-2011_05
특허 번호
US07947851B2

반응 노트

불러오는 중…