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Sodium Hydroxide → Sodium (4r)-2-[7-({[6-(acetylamino)-2-naphthyl]sulfonyl}amino)-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl]-4-methyl-4-(3-methylbutyl)-3-oxo-3,4-dihydronaphthalen-1-olate

HRID 494620
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인쇄 미리보기

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HRID 494620 반응식
[OH:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C@@:5]([CH3:17])([CH2:12][CH2:13][CH:14]([CH3:16])[CH3:15])[C:4](=[O:18])[C:3]=1[C:19]1[NH:24][C:23]2[CH:25]=[CH:26][C:27]([NH:29][S:30]([C:33]3[CH:34]=[C:35]4[C:40](=[CH:41][CH:42]=3)[CH:39]=[C:38]([NH:43][C:44](=[O:46])[CH3:45])[CH:37]=[CH:36]4)(=[O:32])=[O:31])=[CH:28][C:22]=2[S:21](=[O:48])(=[O:47])[N:20]=1.[OH-].[Na+:50]>O>[C:44]([NH:43][C:38]1[CH:39]=[C:40]2[C:35](=[CH:36][CH:37]=1)[CH:34]=[C:33]([S:30]([NH:29][C:27]1[CH:26]=[CH:25][C:23]3[NH:24][C:19]([C:3]4[C:4](=[O:18])[C@:5]([CH3:17])([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[C:6]5[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=5)[C:2]=4[O-:1])=[N:20][S:21](=[O:48])(=[O:47])[C:22]=3[CH:28]=1)(=[O:32])=[O:31])[CH:42]=[CH:41]2)(=[O:46])[CH3:45].[Na+:50]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 14798Sodium HydroxideHCID 136384631n-{6-[({3-[(4r)-1-Hydroxy-4-methyl-4-(3-methylbutyl)-3-oxo-3,4-dihydronaphthalen-2-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}amino)sulfonyl]-2-naphthyl}acetamide

생성물 1

HCID 131726900Sodium (4r)-2-[7-({[6-(acetylamino)-2-naphthyl]sulfonyl}amino)-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl]-4-methyl-4-(3-methylbutyl)-3-oxo-3,4-dihydronaphthalen-1-olate수율 99.9%

시약·촉매·용매 1

HCID 962
Water
용매

실험 절차

A mixture of Example 104A (5.0 mg, 0.0072 mmol) and 0.998 M sodium hydroxide (0.0072 mL, 0.0072 mmol) in water (1 mL) was stirred at rt for 16 h. The reaction mixture was concentrated in vacuo to give the title compound (5.1 mg, quant. yield). 1H NMR (300 MHz, DMSO-d6) δ 0.42 (m, 1H) 0.66 (t, J=6.80 Hz, 6H) 0.75 (m, 1H) 1.26 (m, 1H) 1.36 (s, 3H) 1.73 (m, 1H) 2.10 (m, 4H) 7.21 (d, J=9.93 Hz, 1H) 7.31 (m, J=8.46, 2.21 Hz, 2H) 7.38 (d, J=2.21 Hz, 1H) 7.46 (m, 2H) 7.67 (m, 2H) 8.01 (m, 3H) 8.30 (s, 1H) 8.37 (s, 1H) 10.31 (s, 1H) 10.51 (s, 1H) 15.31 (s, 1H). MS (ESI+) m/z 709.1 (M+H)+, 687.6 (M+H−Na)+, 704.1 (M−Na+NH4)+, (ESI−) m/z 707.1 (M−H)−, 685.0 (M−H−Na)−.

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo

출처 및 근거

ORD 기록
ord-c9181543dad94c139e02c03878621962
출처 데이터셋
uspto-grants-2009_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07538105B2

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