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Dimethylformamide → HCID 178464157、化合物

HRID 1919183
ノート
印刷プレビュー

反応式

HRID 1919183 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].[CH3:40][CH2:41][N:42]([CH:46]([CH3:48])C)[CH:43]([CH3:45])[CH3:44].[NH:49]1[CH2:53][CH2:52][CH2:51][C@H:50]1[C:54]1[NH:55][CH:56]=[C:57](/[CH:59]=[CH:60]/[C:61]2[CH:66]=[CH:65][C:64](/[CH:67]=[CH:68]/[C:69]3[NH:73][C:72]([C@@H:74]4[CH2:78][CH2:77][CH2:76][NH:75]4)=[N:71][CH:70]=3)=[CH:63][CH:62]=2)[N:58]=1.CN(C=[O:83])C>>[CH2:46]([N:42]([CH2:41][CH3:40])[C@H:43]([C:44]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:45]([N:75]1[CH2:76][CH2:77][CH2:78][C@H:74]1[C:72]1[NH:73][C:69](/[CH:68]=[CH:67]/[C:64]2[CH:63]=[CH:62][C:61](/[CH:60]=[CH:59]/[C:57]3[N:58]=[C:54]([C@@H:50]4[CH2:51][CH2:52][CH2:53][N:49]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:55][CH:56]=3)=[CH:66][CH:65]=2)=[CH:70][N:71]=1)=[O:83])[CH3:48]
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 5

HCID 6228Dimethylformamide2 回HCID 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 178437181HCID 178437181、化合物

生成物 1

HCID 178464157
HCID 178464157、化合物

実験手順

HATU (76 mg, 0.20 mmol) was added to a stirred solution of (R)-2-(diethylamino)-2-phenylacetic acid (49 mg, 0.20 mmol) in DMF (1 mL) and DIPEA (0.14 mL, 0.80 mmole) and the mixture was stirred for 5 minutes. Then a solution of 1-((E)-2-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)vinyl)-4-((E)-2-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)vinyl)benzene (40 mg, 0.10 mmol) in DMF (1 mL) was added and the resulting solution was stirred under argon for 16 hrs. The reaction mixture was purified directly by HPLC and the resulting TFA salt of the desired product was absorbed onto an SCX ion-exchange cartridge with methanol and liberated with a solution of 2 M NH3 in methanol. The fractions containing the desired product were concentrated to yield (1R)-2-((2S)-2-(4-((E)-2-(4-((E)-2-(2-((2S)-1-((2R)-2-(diethylamino)-2-phenylacetyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)vinyl)phenyl)vinyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)-N,N-diethyl-2-oxo-1-phenylethanamine (35.8 mg) as a pale yellow solid.

後処理

  1. stirringthe resulting solution was stirred under argon for 16 hrs
  2. customThe reaction mixture was purified directly by HPLC
  3. customthe resulting TFA salt of the desired product was absorbed onto an SCX ion-exchange cartridge with methanol
  4. additionThe fractions containing the desired product
  5. concentrationwere concentrated

出典と根拠

ORDレコード
ord-ebd791ab52c14c87a2d1a18d6305befd
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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