Methyl valinate hydrochloride → (S)-2-({3-[4-(3-cyclohexyl-ureido)-phenyl]-isoxazole-5-carbonyl}-amino)-3-methyl-butyric acid methyl ester

HRID 75781

反応式

HRID 75781 の反応式
[CH:1]1([NH:7][C:8](=[O:24])[NH:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]3[CH:20]=[C:19]([C:21](O)=[O:22])[O:18][N:17]=3)=[CH:12][CH:11]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.[CH3:26][O:27][C:28](=[O:34])[C@@H:29]([NH2:33])[CH:30]([CH3:32])[CH3:31].[K+].[Br-]>>[CH3:26][O:27][C:28](=[O:34])[C@@H:29]([NH:33][C:21]([C:19]1[O:18][N:17]=[C:16]([C:13]2[CH:12]=[CH:11][C:10]([NH:9][C:8]([NH:7][CH:1]3[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]3)=[O:24])=[CH:15][CH:14]=2)[CH:20]=1)=[O:22])[CH:30]([CH3:32])[CH3:31]

参加物

4

反応物 3

HCID 111190Methyl valinate hydrochlorideHCID 253877Potassium BromideHCID 673528493-[4-(3-Cyclohexyl-ureido)-phenyl]-isoxazole-5-carboxylic acid

生成物 1

HCID 46181358(S)-2-({3-[4-(3-cyclohexyl-ureido)-phenyl]-isoxazole-5-carbonyl}-amino)-3-methyl-butyric acid methyl ester収率 68%

実験手順

The title compound was prepared from 3-[4-(3-cyclohexyl-ureido)-phenyl]-isoxazole-5-carboxylic acid and (S)-2-amino-3-methyl-butyric acid methyl ester hydrochloride as set forth in Example 5 and was obtained in 68% yield. Mass (ES+): 443 (M++1); IR (KBr): 3382, 3345, 3290, 2932, 1746, 1665, 1652, 1543; 1H NMR (DMSO-d6) δ: 0.91 (2×d, 6H), 1.08-1.78 (4×m, 10H), 2.16 (m, 1H), 3.42 (br, 1H), 3.53 (s, 3H), 4.26 (t, 1H), 6.14 (d, 1H), 7.48 (d, 2H), 7.60 (s, 1H), 7.72 (d, 2H), 8.56 (s, 1H), 9.12 (d, 1H).

後処理

  1. customwas obtained in 68% yield

出典と根拠

ORDレコード
ord-dbbb8c71d3a24552887dfd96d5e101b8
出典データセット
uspto-grants-2014_09
特許番号
US08835428B2

関連ノート

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