N-Methyl-D-glucamine → 3-[(2-Adamantan-1-ylmethyl-5-phenyl-1h-pyrrole-3-carbonyl)-amino]-benzoic acid

HRID 1018303

反応式

HRID 1018303 の反応式
[C:1]12([CH2:11][C:12]3[NH:13][C:14]([C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=4)=[CH:15][C:16]=3[C:17](O)=[O:18])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C([O:33][C:34](=[O:42])[C:35]1[CH:40]=[CH:39][CH:38]=[C:37]([NH2:41])[CH:36]=1)C1C=CC=CC=1.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.O.O1CCOCC1>O>[C:1]12([CH2:11][C:12]3[NH:13][C:14]([C:20]4[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=4)=[CH:15][C:16]=3[C:17]([NH:41][C:37]3[CH:36]=[C:35]([CH:40]=[CH:39][CH:38]=3)[C:34]([OH:33])=[O:42])=[O:18])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2

参加物

6

反応物 4

HCID 8567N-Methyl-D-glucamineHCID 113820842-Adamantan-1-ylmethyl-5-phenyl-1h-pyrrole-3-carboxylic acidHCID 15428374Benzyl 3-aminobenzoateHCID 218864351,4-Dioxane--water (1/1)

生成物 1

HCID 98901983-[(2-Adamantan-1-ylmethyl-5-phenyl-1h-pyrrole-3-carbonyl)-amino]-benzoic acid

試薬・触媒・溶媒 1

HCID 962Water溶媒

実験手順

The benzyl ester of the title compound was prepared by reacting 2-adamantan-1-ylmethyl-5-phenyl-1H-pyrrole-3-carboxylic acid (Example 1, step c) with 3-amino-benzoic acid benzyl ester according to the procedure of Example 1, step d. This was converted to the title compound using the procedure of Example 1, step e. 1H NMR (300 MHz, d6-DMSO) 11.19 (1H, s), 9.62 (1H, s), 8.37 (1H, s), 7.97 (1H, d) 7.66 (2H, d), 7.58 (1H, d), 7.39 (3H, m), 7.16 (2H, m), 2.84 (2H, s), 1.88 (3H, br s), 1.54 (12H, m). The product was converted to the N-methyl-D-glucamine salt and lyophilised from water/dioxan. Found: C, 62.82; H, 7.38; N, 5.82%; C36H47N3O8.2.0 H2O requires: C, 63.04; H, 7.50; N, 6.12%.

出典と根拠

ORDレコード
ord-02b53532c81e4d589a5a3aecb5cfe9e8
出典データセット
uspto-grants-2002_11
特許番号
US06479531B1

関連ノート

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