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Thionyl Chloride → N-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine

HRID 511793
ノート
印刷プレビュー

反応式

HRID 511793 の反応式
[F:1][C:2]1[N:12]=[CH:11][C:5]2[NH:6][C:7](=O)[N:8]=[CH:9][C:4]=2[CH:3]=1.S(Cl)(Cl)=O.[Cl:17][C:18]1[CH:19]=[C:20]([CH:22]=[CH:23][C:24]=1[O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][N:28]=1)[NH2:21]>CN(C=O)C.CC(N(C)C)=O>[Cl:17][C:18]1[CH:19]=[C:20]([NH:21][C:9]2[C:4]3[CH:3]=[C:2]([F:1])[N:12]=[CH:11][C:5]=3[N:6]=[CH:7][N:8]=2)[CH:22]=[CH:23][C:24]=1[O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][N:28]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 24386Thionyl ChlorideHCID 167812123-Chloro-4-(2-pyridylmethoxy)anilineHCID 668235116-Fluoropyrido[3,4-d]pyrimidinone

生成物 1

HCID 68158781N-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine収率 83.3%

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide触媒
HCID 31374
Dimethylacetamide
溶媒

実験手順

A heterogeneous mixture of 6-fluoropyrido[3,4-d]pyrimidin-4(3H)-one (200) (1.65 g, 10.0 mmol), thionyl chloride (30 ml) and a catalytic amount of DMF (3 drops) was stirred under reflux for 2 h 30 min to give a homogeneous mixture. It was evaporated under reduced pressure at 40° C. (bath temperature) to give a light brown solid. To this solid was added a solution of 3-chloro-4-(pyridin-2-ylmethoxy)aniline (2.58 g, 11.0 mmol) in dry DMA (15 ml). The residue of 3-chloro-4-(pyridin-2-ylmethoxy)aniline was washed down with more DMA (2×5 ml). The reaction mixture was stirred at room temperature for 18 h. It was poured into water (300 ml). The pH was adjusted to ca. 9 using an aqueous solution of Na2CO3 at room temperature. Petroleum ether (300 mL) was added and stirred at room temperature for 30 min. The petroleum ether layer was decanted. It was repeated once more with petroleum ether (300 mL). The solid was collected by filtration and washed with water (4×50 mL). It was stirred with hot (ca. 50° C.) acetone (300 mL) for 15 min. The insoluble materials was filtered off and the filtrate was evaporated under reduced pressure to give N-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine (203) (3.18 g, 83%) as a yellow/orange solid, mp 216-219° C.; 1H NMR δ [(CD3)2SO] 10.04 (s, 1H), 8.94 (s, 1H), 8.69 (s, 1H), 8.63-8.57 (m, 1H), 8.22 (br s, 1H), 8.08 (d, J=2.6 Hz, 1H), 7.85 (td, J=7.7, 1.8 Hz, 1H), 7.75 (dd, J=9.0, 2.6 Hz, 1H), 7.59 (br d, J=7.8 Hz, 1H), 7.40-7.35 (m, 1H), 7.32 (d, J=9.0 Hz, 1H), 5.31 (s, 2H). Anal. Calcd for C19H13ClFN5O.0.9H2O: C, 57.34; H, 3.75; N, 17.60. Found C, 57.46; H, 3.82; N, 17.63.

後処理

  1. temperatureunder reflux for 2 h 30 min
  2. customto give a homogeneous mixture
  3. customIt was evaporated under reduced pressure at 40° C. (bath temperature)
  4. customto give a light brown solid
  5. washThe residue of 3-chloro-4-(pyridin-2-ylmethoxy)aniline was washed down with more DMA (2×5 ml)
  6. additionIt was poured into water (300 ml)
  7. customat room temperature
  8. additionPetroleum ether (300 mL) was added
  9. stirringstirred at room temperature for 30 min
  10. customThe petroleum ether layer was decanted
  11. filtrationThe solid was collected by filtration
  12. washwashed with water (4×50 mL)
  13. stirringIt was stirred with hot (ca. 50° C.) acetone (300 mL) for 15 min
  14. filtrationThe insoluble materials was filtered off
  15. customthe filtrate was evaporated under reduced pressure

出典と根拠

ORDレコード
ord-bff475cc62ab4be28fc4ae58c749a048
出典データセット
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09101632B2

反応ノート

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