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Formaldehyde → HCID 86727556、化合物

HRID 519160
ノート
印刷プレビュー

反応式

HRID 519160 の反応式
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:21]=[C:20]2[C:11]([N:12]3[C:17]([CH2:18][O:19]2)=[N:16][NH:15][C:14](=[O:22])[CH:13]3[CH3:23])=[CH:10][C:9]=1[NH:24][C:25]1([CH3:29])[CH2:28][NH:27][CH2:26]1.C=O.[BH3-][C:33]#N.[Na+].O>CO.C(O)(=O)C>[CH3:33][N:27]1[CH2:26][C:25]([NH:24][C:9]2[CH:10]=[C:11]3[C:20](=[CH:21][C:8]=2[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=2[F:1])[O:19][CH2:18][C:17]2[N:12]3[CH:13]([CH3:23])[C:14](=[O:22])[NH:15][N:16]=2)([CH3:29])[CH2:28]1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 712FormaldehydeHCID 962WaterHCID 5003444Sodium cyanoborohydrideHCID 867275578-(2-Fluorophenyl)-3,5-dihydro-1-methyl-9-[(3-methyl-3-azetidinyl)amino][1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one

生成物 1

HCID 86727556HCID 86727556、化合物収率 67.2%

試薬・触媒・溶媒 2

HCID 176
Acetic Acid
溶媒
HCID 887Methanol溶媒

実験手順

To a solution of 7-(2-fluoro-phenyl)-4-methyl-6-(3-methyl-azetidin-3-ylamino)-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one (0.216 g, 0.545 mmol) in MeOH (10 mL) and acetic acid (1 mL) was added paraformaldehyde (0.05 g, 1.635 mmol) followed by NaBH3CN (0.068 g, 1.090 mmol). The mixture was stirred at ambient temperature for 30 min. Water (10 mL) was added and the reaction mixture was extracted with EtOAc (30 mL×3). The combined organic phase was washed with brine (10 mL), dried over anhydrous Na2SO4, filtered and evaporated in vacuo to give the residue, which was purified by chromatography on silica gel (eluting with 50% EtOAc in petroleum ether to 10% methanol in EtOAc) to give 6-(1,3-dimethyl-azetidin-3-ylamino)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one (0.150 g, 67%). 1H NMR (CDCl3, 400 MHz): δ 7.37 (m, 2H), 7.24 (m, 2H), 6.78 (s, 1H), 6.02 (s, 1H), 4.78 (m, 1H), 4.55 (m, 2H), 3.90 (m, 2H), 3.80 (m, 2H), 2.75 (s, 3H), 1.59 (s, 3H), 1.48 (d, J=6.8 Hz, 3H). LC/MS (Table 1, Method 25) Rt=0.715 min.; MS m/z: 410 [M+H]+.

後処理

  1. extractionthe reaction mixture was extracted with EtOAc (30 mL×3)
  2. washThe combined organic phase was washed with brine (10 mL)
  3. dry with materialdried over anhydrous Na2SO4
  4. filtrationfiltered
  5. customevaporated in vacuo
  6. customto give the residue, which
  7. customwas purified by chromatography on silica gel (eluting with 50% EtOAc in petroleum ether to 10% methanol in EtOAc)

出典と根拠

ORDレコード
ord-416700b743c8428eafaa563ca5370b41
出典データセット
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09115151B2

反応ノート

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