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Hydrochloric Acid → Methyl [6-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1h-benzimidazol-2-yl]carbamate dihydrochloride salt

HRID 473868
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HRID 473868 반응식
[CH3:1][O:2][C:3]([NH:5][C:6]1[NH:10][C:9]2[CH:11]=[C:12]([C:15]3[CH:16]=[CH:17][C:18]4[O:24][CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][C:19]=4[CH:32]=3)[CH:13]=[CH:14][C:8]=2[N:7]=1)=[O:4].CO.[ClH:35]>O1CCOCC1.C(OCC)C>[ClH:35].[ClH:35].[O:24]1[C:18]2[CH:17]=[CH:16][C:15]([C:12]3[CH:13]=[CH:14][C:8]4[N:7]=[C:6]([NH:5][C:3](=[O:4])[O:2][CH3:1])[NH:10][C:9]=4[CH:11]=3)=[CH:32][C:19]=2[CH2:20][NH:21][CH2:22][CH2:23]1
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참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 675150971,1-dimethylethyl 7-(2-{[(methyloxy)carbonyl]amino}-1H-benzimidazol-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

생성물 1

HCID 86672024Methyl [6-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1h-benzimidazol-2-yl]carbamate dihydrochloride salt수율 95%

시약·촉매·용매 2

HCID 3283
Diethyl Ether
용매
HCID 312751,4-Dioxane용매

실험 절차

1,1-Dimethylethyl 7-(2-{[(methyloxy)carbonyl]amino}-1H-benzimidazol-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (517 mg, 1.18 mmol) was taken into methanol (2 mL) and 4M hydrogen chloride in dioxane (2 mL) and the mixture was allowed to stand at room temperature for 30 minutes. The suspension obtained was diluted with excess ethyl ether and the solid collected by filtration to give methyl [6-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1H-benzimidazol-2-yl]carbamate dihydrochloride salt (462 mg, 95% yield) as a white solid. MS (EI) for C18H18N4O3: 339 (MH+).

후처리

  1. customThe suspension obtained
  2. filtrationthe solid collected by filtration

출처 및 근거

ORD 기록
ord-95a8ac83d9ad4a8aaf5e80779ea947a1
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637499B2

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