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Methanamine, hydrochloride (1:1) → HCID 178476853, 화합물

HRID 1948083
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HRID 1948083 반응식
[CH2:1]([O:3][P:4]([CH2:9][C:10]1[CH:15]=[CH:14][C:13]([NH:16][C:17]2[N:22]=[C:21]([NH:23][C:24]3[CH:25]=[CH:26][C:27]([C@@H:35]4[CH2:40][CH2:39][C@H:38]([C:41](O)=[O:42])[CH2:37][CH2:36]4)=[C:28]4[C:32]=3[C:31](=[O:33])[N:30]([CH3:34])[CH2:29]4)[C:20]([C:44]([F:47])([F:46])[F:45])=[CH:19][N:18]=2)=[C:12]([O:48][CH3:49])[CH:11]=1)([O:6][CH2:7][CH3:8])=[O:5])[CH3:2].[CH3:50][N:51](C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[Cl-].C[NH3+].CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:49][O:48][C:12]1[CH:11]=[C:10]([CH:15]=[CH:14][C:13]=1[NH:16][C:17]1[N:22]=[C:21]([NH:23][C:24]2[CH:25]=[CH:26][C:27]([C@H:35]3[CH2:36][CH2:37][C@@H:38]([C:41](=[O:42])[NH:51][CH3:50])[CH2:39][CH2:40]3)=[C:28]3[C:32]=2[C:31](=[O:33])[N:30]([CH3:34])[CH2:29]3)[C:20]([C:44]([F:47])([F:46])[F:45])=[CH:19][N:18]=1)[CH2:9][P:4](=[O:5])([O:3][CH2:1][CH3:2])[O:6][CH2:7][CH3:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 11637Methanamine, hydrochloride (1:1)HCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 178476855HCID 178476855, 화합물

생성물 1

HCID 178476853HCID 178476853, 화합물수율 43.1%

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

cis-4-(7-{[2-({4-[(Diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-2-methyl-1-oxo-2,3-dihydro-1H-isoindol-4-yl)cyclohexanecarboxylic acid (10.0 mg, 0.0142 mmol), TBTU (9.1 mg, 0.0283 mmol) and DMF (0.8 mL) were mixed and the mixture was stirred at room temperature for 30 minutes. Methylammonium chloride (9.6 mg, 0.142 mmol) and DIPEA (24.7 μL, 0.142 mmol) were added and the mixture was stirred at room temperature for 2 hours. The crude was purified by MDP to obtain the title compound (4.4 mg, 43% yield). 1H NMR (400 MHz, methanol-d4) δ=1.29 (t, J=7.1 Hz, 6H), 1.67-1.81 (m, 4H), 1.87-2.01 (m, 2H), 2.15 (d, J=12.4 Hz, 2 H), 2.60 (br. s., 1H), 2.71 (t, J=11.2 Hz, 1H), 2.79 (s, 3H), 3.18 (s, 3H), 3.37 (d, J=21.7 Hz, 2H), 3.90 (s, 3H), 4.10 (quin, J=7.3 Hz, 4H), 4.53 (s, 2H), 6.99 (d, J=7.8 Hz, 1H), 7.13 (s, 1H), 7.34 (br. s., 1H), 7.67 (d, J=8.1 Hz, 1H), 8.33 (br. s., 2H). MS (ES+): m/z 719.36 (100) [MH+]; HPLC: tR=1.04 min (UPLC, purity).

후처리

  1. stirringthe mixture was stirred at room temperature for 2 hours
  2. customThe crude was purified by MDP

출처 및 근거

ORD 기록
ord-41beb698787249cc99fe93de6c6b979e
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399433B2

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