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Hydrochloric Acid → 3-(1'-{[1-Cyclopropyl-4-(tetrazol-5-yl)-1H-indol-6-yl]carbonyl}-4-oxospiro[chroman-2,4'-piperidin]-6-yl)benzamide

HRID 1096909
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HRID 1096909 반응식
Cl.[O:2]=[C:3]1[C:17]2[C:12](=[CH:13][CH:14]=[C:15]([C:18]3[CH:19]=[C:20]([CH:24]=[CH:25][CH:26]=3)[C:21]([NH2:23])=[O:22])[CH:16]=2)[O:11][C:5]2([CH2:10][CH2:9][NH:8][CH2:7][CH2:6]2)[CH2:4]1.[CH:27]1([N:30]2[C:38]3[C:33](=[C:34]([C:42]4[NH:46][N:45]=[N:44][N:43]=4)[CH:35]=[C:36]([C:39](O)=[O:40])[CH:37]=3)[CH:32]=[CH:31]2)[CH2:29][CH2:28]1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.Cl>CN(C=O)C.O.C(N(CC)CC)C>[CH:27]1([N:30]2[C:38]3[C:33](=[C:34]([C:42]4[NH:46][N:45]=[N:44][N:43]=4)[CH:35]=[C:36]([C:39]([N:8]4[CH2:7][CH2:6][C:5]5([CH2:4][C:3](=[O:2])[C:17]6[C:12](=[CH:13][CH:14]=[C:15]([C:18]7[CH:19]=[C:20]([CH:24]=[CH:25][CH:26]=7)[C:21]([NH2:23])=[O:22])[CH:16]=6)[O:11]5)[CH2:10][CH2:9]4)=[O:40])[CH:37]=3)[CH:32]=[CH:31]2)[CH2:28][CH2:29]1
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참가 물질

9

반응물 5

HCID 313Hydrochloric AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 667824533-(4-Oxospiro[chroman-2,4'-piperidin]-6-yl)benzamide hydrochlorideHCID 178524187HCID 178524187, 화합물

생성물 1

HCID 178513630
3-(1'-{[1-Cyclopropyl-4-(tetrazol-5-yl)-1H-indol-6-yl]carbonyl}-4-oxospiro[chroman-2,4'-piperidin]-6-yl)benzamide

시약·촉매·용매 3

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8471Triethylamine용매

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온도
50 °C

실험 절차

3-(4-Oxospiro[chroman-2,4′-piperidin]-6-yl)benzamide hydrochloride (224 mg), 1-cyclopropyl-4-(tetrazol-5-yl)-1H-indole-6-carboxylic acid (135 mg), EDCI (115 mg), HOBT (91.2 mg) and triethylamine (0.209 ml) were dissolved in DMF (3 mL), and stirred at 50° C. for 23 hours. 1N hydrochloric acid and water were added to the reaction liquid, the formed solid was taken out through filtration, and the resulting solid was purified through silica gel thin-layer column chromatography (chloroform/methanol) to obtain the title compound. 1H-NMR (400 MHz, DMSO-d6) δ: 8.17-8.10 (2.0H, br m), 8.05 (1.0H, d, J=2.2 Hz), 7.99 (1.0H, dd, J=8.5, 2.2 Hz), 7.86-7.78 (4.0H, m), 7.63 (1.0H, d, J=2.9 Hz), 7.52 (1.0H, dd, J=7.7, 7.7 Hz), 7.40 (1.0H, s), 7.25 (1.0H, d, J=8.5 Hz), 7.15-7.13 (1.0H, m), 4.50-4.08 (1.0H, br m), 3.88-3.08 (4.0H, m), 2.96 (2.0H, s), 2.23-1.68 (4.0H, m), 1.15-1.08 (2.0H, m), 1.06-0.96 (2.0H, m). MS [M+H]+=588.

후처리

  1. filtrationthe formed solid was taken out through filtration
  2. customthe resulting solid was purified through silica gel thin-layer column chromatography (chloroform/methanol)

출처 및 근거

ORD 기록
ord-9f670a464cca4ef68df9f28bab3f4bdc
출처 데이터셋
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08138197B2

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