1-Hydroxybenzotriazole → HCID 46926945, 화합물

HRID 877041노트

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HRID 877041 반응식
[CH3:1][N:2]1[C:7]2=[CH:8][S:9][C:10](C)=[C:6]2[C:5](=[O:12])[N:4]([CH3:13])[C:3]1=[O:14].[Br:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[O:26][N:25]=[C:24]([NH2:27])[CH:23]=2)=[CH:18][CH:17]=1.CCN=C=NC[CH2:34][CH2:35]N(C)C.Cl.C1C=CC2N([OH:49])N=NC=2C=1>CN(C1C=CN=CC=1)C.ClCCCl>[Br:15][C:16]1[CH:17]=[CH:18][C:19]([C:22]2[O:26][N:25]=[C:24]([NH:27][C:34](=[O:49])[CH2:35][C:7]3[C:6]4[C:5](=[O:12])[N:4]([CH3:13])[C:3](=[O:14])[N:2]([CH3:1])[C:10]=4[S:9][CH:8]=3)[CH:23]=2)=[CH:20][CH:21]=1

참가 물질

7

반응물 4

HCID 757711-HydroxybenzotriazoleHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 162181875-(4-Bromophenyl)-1,2-oxazol-3-amineHCID 710080931,3,5-trimethylthieno[3,4-d]pyrimidine-2,4(1H,3H)-dione

생성물 1

HCID 46926945HCID 46926945, 화합물

시약·촉매·용매 2

HCID 142844-(Dimethylamino)pyridine촉매HCID 111,2-Dichloroethane용매

실험 절차

The title compound was prepared according to the general procedure (Method A) by coupling Intermediate 1 (100 mg, 0.393 mmol) with 5-(4-bromophenyl)isoxazol-3-amine (94 mg, 0.393 mmol) in the presence of EDCI hydrochloride (90 mg, 0.472 mmol), HOBt (16 mg, 0.118 mmol) and DMAP (5 mg, 0.039 mmol) in 1,2 dichloroethane (4 ml) to give 45 mg of the product as an off-white solid; 1H NMR (300 MHz, DMSO-d6) δ 3.20 (s, 3H), 3.47 (s, 3H), 3.99 (s, 2H), 7.05 (s, 1H), 7.33 (s, 1H), 7.72 (d, J=8.1 Hz, 2H), 7.81 (d, J=8.4 Hz, 2H), 11.20 (br s, 1H); APCI-MS (m/z) 475.01 (M+H).

출처 및 근거

ORD 기록
ord-5bb831a6800945a59d3b58b91eedf82d
출처 데이터셋
uspto-grants-2015_03
특허 번호
US08987278B2

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