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Hydrochloric Acid → HCID 66880816, 화합물

HRID 541802
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HRID 541802 반응식
[N+:1]([C:4]1[CH:5]=[C:6]([CH:24]=[CH:25][CH:26]=1)[C:7]([NH:9][C:10]1[CH:11]=[C:12]([NH:16]C(=O)OC(C)(C)C)[CH:13]=[CH:14][CH:15]=1)=[O:8])([O-:3])=[O:2].[ClH:27]>O1CCOCC1>[ClH:27].[NH2:16][C:12]1[CH:11]=[C:10]([NH:9][C:7](=[O:8])[C:6]2[CH:24]=[CH:25][CH:26]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=2)[CH:15]=[CH:14][CH:13]=1
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참가 물질

4

반응물 2

HCID 313Hydrochloric AcidHCID 57961752HCID 57961752, 화합물

생성물 1

HCID 66880816HCID 66880816, 화합물

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

tert-Butyl {3-[(3-nitrobenzoyl)amino]phenyl}carbamate (0.60 g, 1.7 mmol) was mixed with 4 M of hydrogen chloride in 1,4-dioxane (7 mL) and stirred at rt for 2 h. After concentration, the desired white powder solid product (0.49 g, 99%) as a HCl salt was used in the next step. MF=C13H11N3O3; LCMS calculated for C13H11N3O3 (M+H)+: m/z=258.0. 1H NMR (400 MHz, CD3OD): δ 8.82 (t, J=2.0 Hz, 1H), 8.46 (ddd, J=8.4, 2.4, 1.2 Hz, 1H), 8.36 (ddd, J=8.4, 2.4, 1.2 Hz, 1H), 8.21 (t, J=2.0 Hz, 1H), 7.80 (t, J=8.0 Hz, 1H), 7.68 (ddd, J=8.0, 4.0, 2.4, 1H), 7.54 (t, J=8.4 Hz, 1H), 7.19 (ddd, J=8.0, 2.0, 1.2 Hz, 1H).

후처리

  1. concentrationAfter concentration

출처 및 근거

ORD 기록
ord-0e66d34a8af04adab79f05b639f07936
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08871753B2

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