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Trifluoroacetic acid → HCID 178464158、化合物

HRID 1919184
ノート
印刷プレビュー

反応式

HRID 1919184 の反応式
CN(C(ON1N=N[C:11]2[CH:12]=[CH:13][CH:14]=N[C:10]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:25]([N:27]([CH2:38][CH3:39])[C@H:28]([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)[C:29](O)=[O:30])[CH3:26].[NH:40]1[CH2:44][CH2:43][CH2:42][C@H:41]1[C:45]1[NH:46][CH:47]=[C:48]([CH2:50][CH2:51][C:52]2[CH:57]=[CH:56][C:55]([CH2:58][CH2:59][C:60]3[NH:64][C:63]([C@@H:65]4[CH2:69][CH2:68][CH2:67][NH:66]4)=[N:62][CH:61]=3)=[CH:54][CH:53]=2)[N:49]=1.C(O)(C(F)(F)F)=[O:71].[CH3:77][CH2:78][N:79]([CH:83]([CH3:85])C)[CH:80]([CH3:82])[CH3:81]>CN(C=O)C.CO>[CH2:83]([N:79]([CH2:78][CH3:77])[C@H:80]([C:81]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:82]([N:66]1[CH2:67][CH2:68][CH2:69][C@H:65]1[C:63]1[NH:64][C:60]([CH2:59][CH2:58][C:55]2[CH:54]=[CH:53][C:52]([CH2:51][CH2:50][C:48]3[N:49]=[C:45]([C@@H:41]4[CH2:42][CH2:43][CH2:44][N:40]4[C:29](=[O:30])[C@@H:28]([C:32]4[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=4)[N:27]([CH2:38][CH3:39])[CH2:25][CH3:26])[NH:46][CH:47]=3)=[CH:57][CH:56]=2)=[CH:61][N:62]=1)=[O:71])[CH3:85]
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 5

HCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 1091378(R)-2-(diethylamino)-2-phenylacetic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 178420207HCID 178420207、化合物

生成物 1

HCID 178464158
HCID 178464158、化合物

試薬・触媒・溶媒 2

HCID 887Methanol溶媒HCID 6228Dimethylformamide溶媒2 回

実験手順

HATU (76 mg, 0.2 mmole) was added to a stirred solution of (R)-2-(diethylamino)-2-phenylacetic acid (49 mg, 0.2 mmole) in DMF (1 mL) and DIEA (0.14 mL) and the mixture was stirred for 5 minutes. The 1-(2-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)ethyl)-4-(2-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)ethyl)benzene (40 mg) in DMF (1 mL) was added and the reaction mixture was stirred under argon for 16 hrs. The reaction mixture was purified directly by prep HPLC. The solid obtained, the TFA salt, was loaded onto an SCX ion exchange cartridge with methanol, then the product was isolated as the free base by eluting with a solution of 2 M NH3 in methanol to yield (1R)-2-((2S)-2-(4-(2-(4-(2-(2-((2S)-1-((2R)-2-(diethylamino)-2-phenylacetyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)ethyl)phenyl)ethyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)-N,N-diethyl-2-oxo-1-phenylethanamine (40 mg) as a white solid.

後処理

  1. stirringthe reaction mixture was stirred under argon for 16 hrs
  2. customThe reaction mixture was purified directly by prep HPLC
  3. customThe solid obtained
  4. customthe product was isolated as the free base
  5. washby eluting with a solution of 2 M NH3 in methanol

出典と根拠

ORDレコード
ord-3d8b135d3fab49179fa8f38e79b3bec7
出典データセット
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08618153B2

反応ノート

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