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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 57991863、化合物

HRID 2075362
ノート
印刷プレビュー

反応式

HRID 2075362 の反応式
C(OC([C@@H:8]([C@@H:12]([C:22]1[CH:27]=[CH:26][C:25]([C:28]([F:31])([F:30])[F:29])=[CH:24][CH:23]=1)[CH2:13][O:14][Si:15]([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:17])[CH3:16])[C:9]([OH:11])=O)=O)(C)(C)C.CC[N:34]=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[CH:53]1[C:62]2[C:57](=[CH:58][C:59]([C:63]3[S:67][C:66]([NH2:68])=[N:65][N:64]=3)=[CH:60][CH:61]=2)[CH:56]=[CH:55][N:54]=1.[CH:69]1[C:78]2[C:73](=CC(C(O)=O)=C[CH:77]=2)C=CN=1.ClC1C=NC=C2SC([C:92]([OH:94])=[O:93])=CC=12>CN(C=O)C>[CH:53]1[C:62]2[C:57](=[CH:58][C:59]([C:63]3[S:67][C:66]([NH2:68])=[N:65][N:64]=3)=[CH:60][CH:61]=2)[CH:56]=[CH:55][N:54]=1.[Si:15]([O:14][CH2:13][C@@H:12]([C:22]1[CH:23]=[CH:24][C:25]([C:28]([F:30])([F:31])[F:29])=[CH:26][CH:27]=1)[C@H:8]([NH:34][C:92](=[O:93])[O:94][C:78]([CH3:77])([CH3:69])[CH3:73])[C:9]([NH:68][C:66]1[S:67][C:63]([C:59]2[CH:58]=[C:57]3[C:62](=[CH:61][CH:60]=2)[CH:53]=[N:54][CH:55]=[CH:56]3)=[N:64][N:65]=1)=[O:11])([C:18]([CH3:21])([CH3:19])[CH3:20])([CH3:16])[CH3:17]
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 6

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 185161084-Chlorothieno[2,3-c]pyridine-2-carboxylic acidHCID 22128831Isoquinoline-6-carboxylic acidHCID 596944465-(Isoquinolin-6-yl)-1,3,4-thiadiazol-2-amineHCID 67089215HCID 67089215、化合物

生成物 2

HCID 57991863HCID 57991863、化合物収率 54%
HCID 596944465-(Isoquinolin-6-yl)-1,3,4-thiadiazol-2-amine

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To (2S,3S)-2-(tert-butoxycarbonyl)-4-(tert-butyldimethylsilyloxy)-3-(4-(trifluoromethyl)phenyl)butanoic acid (0.11 g, 0.23 mmol) in 3 mL of DMF was added EDCI (0.065 g, 0.34 mmol) and HOBt (0.062 g, 0.46 mmol). After 10 minutes, 5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-amine (0.057 g, 0.25 mmol) was added. 5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-amine was prepared as shown in Scheme 5 using isoquinoline-6-carboxylic acid, commercially available from AstaTech Product List (Order Number 62874), instead of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid. The mixture was stirred for 12 hours. The solvent was removed under reduced pressure and the residue was taken up in 20 mL of EtOAc. The mixture was washed with aq NH4Cl (5 mL), water (5×5 mL), and brine (5 mL), then dried over MgSO4. The mixture was filtered and concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel (eluting with a gradient from 0 to 2.5% MeOH in DCM) to provide tert-butyl (2S,3S)-4-(tert-butyldimethylsilyloxy)-1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-ylamino)-1-oxo-3-(4-trifluoromethylphenyl)butan-2-ylcarbamate (0.086 g, 54%) as a yellow solid. 1H NMR (400 MHz, CD3OD): δ ppm 9.38 (s, 1H), 8.61-8.58 (m, 2H), 8.40 (d, J=8.9, 1H), 8.32 (d, 8.6 Hz, 1H), 8.06 (s, 1H), 8.04 (d, J=5.8 Hz, 1H), 7.70 (d, J=7.9 Hz, 2H), 7.61 (d, J=8.1 Hz, 2H), 5.01-4.95 (m, 1H), 4.11-3.96 (m, 2H), 3.62-3.55 (m, 1H), 1.38 (s, 9H), 0.87 (s, 9H), 0.02 (s, 3H), 0.00 (s, 3H). 1H not detected.

後処理

  1. customThe solvent was removed under reduced pressure
  2. washThe mixture was washed with aq NH4Cl (5 mL), water (5×5 mL), and brine (5 mL)
  3. dry with materialdried over MgSO4
  4. filtrationThe mixture was filtered
  5. concentrationconcentrated under reduced pressure
  6. customThe residue was purified by flash chromatography on silica gel (
  7. washeluting with a gradient from 0 to 2.5% MeOH in DCM)

出典と根拠

ORDレコード
ord-28a234ec55764686a4f89044d123c294
出典データセット
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07919504B2

反応ノート

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このページの内容参加物実験手順後処理出典と根拠反応ノート