1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 178456039, 화합물

HRID 578964

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HRID 578964 반응식
[CH3:1][C@@H:2]([NH2:5])[CH2:3][CH3:4].[C:6]([C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:15]=[N:16][N:17]([C:20]3[CH:28]=[CH:27][C:23]([C:24](O)=[O:25])=[CH:22][N:21]=3)[C:18]=2[OH:19])=[C:10]([CH3:29])[CH:9]=1)#[N:7].C1C=C2N=NN(O)C2=CC=1.O.CCN=C=NCCCN(C)C.CCN(C(C)C)C(C)C>CC(N(C)C)=O>[C@H:2]([NH:5][C:24](=[O:25])[C:23]1[CH:27]=[CH:28][C:20]([N:17]2[C:18]([OH:19])=[C:14]([C:11]3[CH:12]=[CH:13][C:8]([C:6]#[N:7])=[CH:9][C:10]=3[CH3:29])[CH:15]=[N:16]2)=[N:21][CH:22]=1)([CH2:3][CH3:4])[CH3:1]

참가 물질

7

반응물 5

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 2724537(R)-sec-butylamineHCID 27960291-Hydroxybenzotriazole hydrateHCID 178426451HCID 178426451, 화합물

생성물 1

HCID 178456039HCID 178456039, 화합물

시약·촉매·용매 1

HCID 31374Dimethylacetamide용매

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온도
50 °C

실험 절차

Combined (R)-butan-2-amine (22.8 mg, 0.312 mmol) and a solution consisting of 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid (50 mg, 0.156 mmol), HOBT hydrate (35.9 mg, 0.234 mmol), EDCI (44.9 mg, 0.234 mmol), and Hunig's base (0.103 mL, 0.624 mmol) in DMA (1 mL) and stirred at 50° C. for 4 h. The reaction mixture was then purified via preparative HPLC to give the title compound as a yellow solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.90 (t, J=7.45 Hz, 3 H) 1.17 (d, J=6.57 Hz, 3 H) 1.44-1.63 (m, 2 H) 2.44 (s, 3 H) 3.95 (dt, J=14.02, 7.14 Hz, 1 H) 7.57-7.90 (m, 3 H) 7.92-8.73 (m, 4 H) 8.82-8.97 (m, 1 H) 13.20 (br. s., 1 H). MS m/z [M+H]+ 376.

후처리

  1. customThe reaction mixture was then purified via preparative HPLC

출처 및 근거

ORD 기록
ord-a54107fffd9d4c388456d4212d9d5bbb
출처 데이터셋
uspto-grants-2015_05
특허 번호
US09040522B2

연결된 노트

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