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Sodium Carbonate → HCID 20820657、化合物

HRID 584254
ノート
印刷プレビュー

反応式

HRID 584254 の反応式
O([Si](C)(C)C)S(C(F)(F)F)(=O)=O.[CH3:13][N:14]1[CH:18]=[C:17]([NH:19][C:20]([C:22]2[N:23]([CH3:27])[CH:24]=[CH:25][N:26]=2)=[O:21])[N:16]=[C:15]1[C:28](O)=[O:29].[CH3:31][O:32][C:33]([C:35]1[N:36]([CH3:50])[CH:37]=[C:38]([NH:40][C:41]([C:43]2[N:44]([CH3:49])[CH:45]=[C:46]([NH2:48])[N:47]=2)=[O:42])[CH:39]=1)=[O:34].C([O-])([O-])=O.[Na+].[Na+]>C(#N)C.C(Cl)(Cl)Cl.O>[CH3:31][O:32][C:33]([C:35]1[N:36]([CH3:50])[CH:37]=[C:38]([NH:40][C:41]([C:43]2[N:44]([CH3:49])[CH:45]=[C:46]([NH:48][C:28]([C:15]3[N:14]([CH3:13])[CH:18]=[C:17]([NH:19][C:20]([C:22]4[N:23]([CH3:27])[CH:24]=[CH:25][N:26]=4)=[O:21])[N:16]=3)=[O:29])[N:47]=2)=[O:42])[CH:39]=1)=[O:34]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 10340Sodium CarbonateHCID 65367Trimethylsilyl triflateHCID 20820658HCID 20820658、化合物HCID 223455651H-Imidazole-2-carboxylicacid,1-methyl-4-[[(1-methyl-1H-imidazol-2-

生成物 1

HCID 20820657HCID 20820657、化合物収率 76.1%

試薬・触媒・溶媒 3

HCID 962
Water
溶媒
2 回
HCID 6212Chloroform溶媒4 回
HCID 6342Acetonitrile溶媒

実験手順

Trimethylsilyl triflate (150 μL, 0.81 mmol) was added in a single portion to a mixture of 1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-imidazole-2-carboxylic acid (200 mg, 0.80 mmol) in anhydrous acetonitrile (8.00 mL). The solution which formed within a few moments was transferred to solid N-(1-chloro-2-methylprop-1-enyl)-N-methyl aminomethylpolystyrene (1.55 mequiv/g, 1.04 g, 1.61 mequiv). After stirring at ambient temperature for 10 minutes, an equal volume of anhydrous CHCl3 (stabilized with amylenes) was added and the mixture was filtered in an inert atmosphere. The resin was washed with an additional 10 mL of anhydrous CHCl3 (stabilized with amylenes), and the combined filtrates containing the 1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-imidazole-2-carbonyl chloride were added dropwise to a vigorously stirred 2-phase mixture of a solution of 4-[(4-amino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester (171 mg, 0.62 mmol) in CHCl3 (10 mL), and a solution of Na2CO3 (170 mg, 1.60 mmol) in H2O (5 mL). The resulting reaction mixture was stirred for 5 minutes, and then was diluted with CHCl3 and H2O. The CHCl3 solution was isolated, dried (MgSO4), and concentrated to afford a 59% yield (240 mg) of 1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-imidazole-2-carbonyl}-amino)-1H-imidazole-2-carbonyl]-amino}-1H-pyrrole-2-carboxylic acid methyl ester as a very pure off-white solid. Reverse phase HPLC of this material was carried out on an Agilent 1100 system using a Vydac 4.6×250 mm Protein & Peptide C18 column eluted at 1.2 mL/min with a linear gradient of 20% MeCN:80% H2O to 40% MeCN:60% H2O over a 15 minute period. Both solvents contained 0.1% TFA. A single 304 nm HPLC peak eluted at 10.847 minutes. 1H NMR (CD3CN plus TFA): δ 10.90 (s, 1H), 10.71 (s, 1H), 9.49 (s, 1H), 7.85 (s, 1H), 7.76 (s, 1H), 7.65 (m, 2H), 7.46 (d, J=1.8 Hz, 1H), 6.92 (d, J=1.9 Hz, 1H), 4.15 (s, 3H), 4.12 (s, 3H), 4.11 (s, 3H), 3.92 (s, 3H), 3.80 (s, 3H).

後処理

  1. customThe solution which formed within a few moments
  2. filtrationthe mixture was filtered in an inert atmosphere
  3. washThe resin was washed with an additional 10 mL of anhydrous CHCl3 (stabilized with amylenes)
  4. additionthe combined filtrates containing the 1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-imidazole-2-carbonyl chloride
  5. customThe resulting reaction mixture
  6. stirringwas stirred for 5 minutes
  7. dry with materialdried (MgSO4)
  8. concentrationconcentrated

出典と根拠

ORDレコード
ord-38488f4ca3064d0693cf0cf0675c7a15
出典データセット
uspto-grants-2005_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06924396B2

反応ノート

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