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Hydrochloric Acid → HCID 69707938、化合物

HRID 896367
ノート
印刷プレビュー

反応式

HRID 896367 の反応式
C(OC(=O)NCC1C=CC2N(CCC(C)C)C(CN3C4C(=CC=CC=4)C(=O)N(C4CC4)C3=O)=NC=2C=1)(C)(C)C.[CH:40]([C:42]1[C:50]2[C:45](=[CH:46][CH:47]=[CH:48][CH:49]=2)[NH:44][N:43]=1)=[CH2:41].[C:51]([O:55][C:56]([NH:58][CH2:59][C:60]1[CH:81]=[CH:80][C:63]2[N:64]([CH2:69][CH2:70][CH2:71][CH2:72][O:73][C:74](=[O:79])[C:75]([CH3:78])([CH3:77])[CH3:76])[C:65]([CH2:67]Cl)=[N:66][C:62]=2[CH:61]=1)=[O:57])([CH3:54])([CH3:53])[CH3:52].Cl>>[C:51]([O:55][C:56]([NH:58][CH2:59][C:60]1[CH:81]=[CH:80][C:63]2[N:64]([CH2:69][CH2:70][CH2:71][CH2:72][O:73][C:74](=[O:79])[C:75]([CH3:78])([CH3:77])[CH3:76])[C:65]([CH2:67][N:44]3[C:45]4[C:50](=[CH:49][CH:48]=[CH:47][CH:46]=4)[C:42]([CH:40]=[CH2:41])=[N:43]3)=[N:66][C:62]=2[CH:61]=1)=[O:57])([CH3:54])([CH3:52])[CH3:53]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 4

HCID 313Hydrochloric AcidHCID 11051787HCID 11051787、化合物HCID 59561852HCID 59561852、化合物HCID 69718855[2-(3-cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

生成物 1

HCID 69707938HCID 69707938、化合物収率 71%

実験手順

The procedure for the preparation of [2-(3-cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester was followed starting with 3-vinyl-1H-indazole (140 mg, 0.970 mmol) and 2,2-dimethyl-propionic acid 4-[5-(tert-butoxycarbonylamino-methyl)-2-chloromethyl-benzoimidazol-1-yl]-butyl ester; HCl salt (474 mg, 0.614 mmol). After quenching with water, a gum formed. The water was decanted and the residue partitioned between diethyl ether and water. The layers were separated and the aqueous phase extracted with diethyl ether (2×40 mL). The combined organic phases were washed with water (twice), brine, and dried (MgSO4). Purification by flash chromatography (eluent hexane-acetone 2:3) afforded 2,2-dimethyl-propionic acid 4-[5-(tert-butoxycarbonylamino-methyl)-2-(3-vinyl-indazol-1-ylmethyl)-benzoimidazol-1-yl]-butyl ester (386 mg, 71%) as a colorless foam:

後処理

  1. customAfter quenching with water
  2. customa gum formed
  3. customThe water was decanted
  4. customthe residue partitioned between diethyl ether and water
  5. customThe layers were separated
  6. extractionthe aqueous phase extracted with diethyl ether (2×40 mL)
  7. washThe combined organic phases were washed with water (twice), brine
  8. dry with materialdried (MgSO4)
  9. customPurification by flash chromatography (eluent hexane-acetone 2:3)

出典と根拠

ORDレコード
ord-1aa069294f4642f6ad6b66b101511d63
出典データセット
uspto-grants-2005_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06919331B2

反応ノート

読み込み中…

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