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

HRID 1018303노트

반응식

HRID 1018303 반응식
[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

참가 물질

6

반응물 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)

생성물 1

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

시약·촉매·용매 1

HCID 962Water용매

실험 절차

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%.

출처 및 근거

ORD 기록
ord-02b53532c81e4d589a5a3aecb5cfe9e8
출처 데이터셋
uspto-grants-2002_11
특허 번호
US06479531B1

반응 노트

불러오는 중…