Bromine → HCID 54094361, 화합물

HRID 1873163노트

반응식

HRID 1873163 반응식
[Br:1][C:2]1[C:14]2[S:13][C:12]3[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=3[C:10]=2[C:9]([C:19]2[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=2)=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[CH:7]2.O[C@H:27]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:28]([O:30]C)=[O:29].BrBr.P([O-])(O)(O)=O.[K+]>C(Cl)(Cl)Cl>[Br:1][C:2]1[C:14]2[S:13][C:12]3[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=3[C:10]=2[C:9]([C:19]2[CH:20]=[CH:21][C:22]([O:25][C@@H:27]([CH2:32][C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[C:28]([OH:30])=[O:29])=[CH:23][CH:24]=2)=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[CH:7]2

참가 물질

6

반응물 4

HCID 24408BromineHCID 516951Monobasic potassium phosphateHCID 10986876methyl (2R)-2-hydroxy-3-phenylpropanoateHCID 15481258HCID 15481258, 화합물

생성물 1

HCID 54094361HCID 54094361, 화합물

시약·촉매·용매 1

HCID 6212Chloroform용매

실험 절차

Prepared from 4-(6-bromo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenol (Example 41) and (R)-2-hydroxy-3-phenylpropionic acid, methyl ester (Example 97). White solid: [a]D25=+17.94° (10.30 mg/mL CHCl3): NMR (CDCl3); δ8.31 (ddd, J=8, 1, 1 Hz, 1 H), 7.76 (ddd., J=8, 1, 1 Hz, 1 H), 7.60 (ddd, J=8, 8, 1 Hz, 1 H), 7.54 (d, J=8 Hz, 1 H), 7.44-7.29 (m, 6 H), 7.24-7.20 (m, 4 H), 7.19-7.04 (m, 3 H), 6.62 (d, J=8 Hz, 1 H), 5.08 (dd, J=7, 5 Hz, 1 H), 3.44 (d, J=5 Hz, 1 H), 3.43 (d, J=7 Hz, 1 H); MS (FAB+): [M+H], bromine isotope pattern, 553 (11%), 569 (12%); Anal. Calc. for C31H21BrO3S: C, 67.27, H, 3.82, N, 0.00. Found: C, 65.17, H, 3.64, N, 0.04. Analytical HPLC determined that this compound was 98.9% pure [column:novapak, 5 micron (4.6 ×250 mm); isocratic, 7:3 accetonitrile: 0.01 M potassium dihydrogen phosphate, pH =3.5; flow rate =1.0 mL/min].

출처 및 근거

ORD 기록
ord-e8edb2e791a0449a845f0362a09f2c9e
출처 데이터셋
uspto-grants-2000_08
특허 번호
US06110962

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