4-Bromo-2-fluoro-1-isopropoxybenzene → HCID 68865697, 화합물

HRID 1453275

반응식

HRID 1453275 반응식
Cl[C:2]1[C:3](=[O:27])[O:4][C:5]([CH:22]2[CH2:26][CH2:25][CH2:24][CH2:23]2)([CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH:18]([CH3:20])[CH3:19])=[C:13](F)[CH:12]=2)[CH2:6][C:7]=1[OH:8].BrC1C=CC(OC(C)C)=C(F)C=1.[Cl:40]C1C(=O)OC(CCC2C=CC(OC)=C(Cl)C=2)(C2CCCC2)CC=1O.ClC1C2NC(S)=NC=2C=C(C(F)(F)F)C=1.[Cl:80][C:81]1[CH:93]=[CH:92][C:84]2[N:85]([CH:89](C)C)[C:86]([SH:88])=[N:87][C:83]=2[CH:82]=1>>[Cl:40][C:13]1[CH:12]=[C:11]([CH2:10][CH2:9][C:5]2([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[O:4][C:3](=[O:27])[C:2]([S:88][C:86]3[N:85]([CH3:89])[C:84]4[CH:92]=[CH:93][C:81]([Cl:80])=[CH:82][C:83]=4[N:87]=3)=[C:7]([OH:8])[CH2:6]2)[CH:16]=[CH:15][C:14]=1[O:17][CH:18]([CH3:20])[CH3:19]

참가 물질

6

반응물 5

HCID 27733894-Bromo-2-fluoro-1-isopropoxybenzeneHCID 547203223-chloro-6-[2-(3-chloro-4-methoxyphenyl)ethyl]6-cyclopentyl-4-hydroxy-5,6-dihydro-2H-pyran-2-oneHCID 587627503-chloro-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-oneHCID 178456613HCID 178456613, 화합물HCID 178506190HCID 178506190, 화합물

생성물 1

HCID 68865697HCID 68865697, 화합물

실험 절차

The title compound was prepared analogously to Example C(40), where 3-chloro-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, where 4-bromo-2-fluoro-1-isopropoxybenzene was) was substituted in place of 3-chloro-6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one and 7-chloro-5-(trifluoromethyl)-1H-benzimidazole-2-thiol was substituted in place of 5-chloro-1-isopropyl-1H-benzimidazole-2-thiol. 1H NMR (300 MHz, DMSO-D6) δ: 1.26 (d, J=6.03 Hz, 6H), 1.43-1.71 (m, 8H), 2.16-2.22 (m, 2H), 2.39-2.42 (m, 1H), 2.53-2.69 (m, 3H), 2.70-2.75 (m, 1H), 3.70 (s, 3H), 4.50-4.58 (m, 1H), 6.93-6.96 (m, 1H), 7.02-7.08 (m, 2H), 7.11-7.15 (m, 2H), 7.41-7.44 (m, 1H). ESI-MS calcd for C29H32Cl2N2O4S: 558.2. Found (M+H+): 559.1. Anal. Calcd. For C29H32Cl2N2O4S.1.0H2O: C, 60.35; H, 5.94; N, 4.85; S, 5.56. Found: C, 60.46; H, 5.95; N, 4.74; S, 5.52.

출처 및 근거

ORD 기록
ord-e7d7fc54ee3d4abab3672550b92c7254
출처 데이터셋
uspto-grants-2009_01
특허 번호
US07473790B2

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