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Dimethylacetamide → Diethyl (2-((4-((3-bromo-4-chlorophenyl)amino)pyrido[3,4-d]pyrimidin-6-yl)amino)-2-oxoethyl)phosphonate

HRID 511806
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HRID 511806 반응식
C1N=CN(C(N2C=NC=C2)=O)C=1.[CH2:13]([O:15][P:16]([CH2:21][C:22]([OH:24])=O)([O:18][CH2:19][CH3:20])=[O:17])[CH3:14].[Br:25][C:26]1[CH:27]=[C:28]([NH:33][C:34]2[C:35]3[CH:43]=[C:42]([NH2:44])[N:41]=[CH:40][C:36]=3[N:37]=[CH:38][N:39]=2)[CH:29]=[CH:30][C:31]=1[Cl:32].CC(N(C)C)=O>C1COCC1.O.ClCCl.CO>[Br:25][C:26]1[CH:27]=[C:28]([NH:33][C:34]2[C:35]3[CH:43]=[C:42]([NH:44][C:22](=[O:24])[CH2:21][P:16](=[O:17])([O:15][CH2:13][CH3:14])[O:18][CH2:19][CH3:20])[N:41]=[CH:40][C:36]=3[N:37]=[CH:38][N:39]=2)[CH:29]=[CH:30][C:31]=1[Cl:32]
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참가 물질

8

반응물 4

HCID 31374DimethylacetamideHCID 36704(Diethoxyphosphinyl)acetic acid2회HCID 682631,1'-Carbonyldiimidazole2회HCID 86668938N4-(3-bromo-4-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

생성물 1

HCID 86668939Diethyl (2-((4-((3-bromo-4-chlorophenyl)amino)pyrido[3,4-d]pyrimidin-6-yl)amino)-2-oxoethyl)phosphonate수율 94.4%

시약·촉매·용매 3

HCID 962Water용매HCID 8028Tetrahydrofuran용매4회HCID 21226129Dichloromethane methanol용매

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온도
40 °C

실험 절차

To a stirred mixture of CDI (1.20 g, 7.42 mmol) and dry THF (5 mL), at room temperature and under a nitrogen atmosphere, was added a solution of 2-(diethoxyphosphoryl)acetic acid (1.45 g, 7.42 mmol) in THF (4 mL). After addition the reaction mixture was stirred further at 40° C. (bath) for 15 min (whence evolution of gases ceased). A solution of compound 223 (2.00 g, 5.71 mmol) in a mixed solvents of dry THF (6 mL) and DMA (7 mL) was added and stirred further at 40° C. The reaction was monitored by TLC (dichloromethane-MeOH=10:1) and found only ca. 60% reaction occurred after 1 h. Thus, another batch of reagent was prepared from CDI [0.87 g, 5.37 mmol; dry THF (2.5 mL)] and 2-(diethoxyphosphoryl)acetic acid [0.72 g, 5.37 mmol); THF (3 mL)] and added to the reaction. It was stirred further for 3 h at 40° C. The reaction mixture was poured into water (300 mL) and stirred with petroleum ether (400 mL) at room temperature for 20 min. Petroleum ether layer was decanted. It was repeated once more with petroleum ether (400 mL). The solid was collected by suction filtration; washed with water (5×30 mL) and dried to give diethyl 2-(4-(3-bromo-4-chlorophenylamino)pyrido[3,4-d]pyrimidin-6-ylamino)-2-oxoethylphosphonate (232) (2.85 g, 94%); mp 113-116° C.; 1H NMR δ [(CD3)2SO]: 10.86 (s, 1H), 10.40 (s, 1H), 9.04 (s, 1H), 8.87 (s, 1H), 8.67 (s, 1 H), 8.34 (d, J=2.3 Hz, 1H), 7.94 (dd, J=8.8, 2.3 Hz, 1H), 7.65 (d, J=8.8 Hz, 1H), 4.16-4.03 (m, 4H), 3.32 (d, partially obscured by water peak, 2H), 1.26 (t, J=7.1 Hz, 6H). Anal. Calcd for C19H20BrClN5O4P.H2O: C, 41.74; H, 4.06; N, 12.81%. Found C, 42.01; H, 3.90; N, 12.78%.

후처리

  1. additionAfter addition the reaction mixture
  2. stirringstirred further at 40° C
  3. customca. 60% reaction
  4. waitoccurred after 1 h
  5. stirringIt was stirred further for 3 h at 40° C
  6. customPetroleum ether layer was decanted
  7. filtrationThe solid was collected by suction filtration
  8. washwashed with water (5×30 mL)
  9. customdried

출처 및 근거

ORD 기록
ord-f4ccd15749ad47ae989a449d2beaa80d
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09101632B2

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