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Aluminum(III) Chloride → 2-tert-Butyl-7-[(S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile

HRID 17283
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HRID 17283 반응식
[C:1]([C:5]1[O:6][C:7]2[C:8](=[C:10]([C:31]#[N:32])[C:11]([CH3:30])=[C:12]([C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([O:28]C)[CH:23]=3)[C:13]=2[N:14]2[CH2:18][CH2:17][C@H:16]([N:19]([CH3:21])[CH3:20])[CH2:15]2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2].[Cl-].[Al+3].[Cl-].[Cl-].O.C(=O)(O)[O-].[Na+]>C1C=CC=CC=1>[C:1]([C:5]1[O:6][C:7]2[C:8](=[C:10]([C:31]#[N:32])[C:11]([CH3:30])=[C:12]([C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([OH:28])[CH:23]=3)[C:13]=2[N:14]2[CH2:18][CH2:17][C@H:16]([N:19]([CH3:20])[CH3:21])[CH2:15]2)[N:9]=1)([CH3:4])([CH3:2])[CH3:3]
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참가 물질

5

반응물 3

HCID 6451240Aluminum(III) Chloride2회HCID 685853342-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-methoxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrileHCID 86585896Sodium bicarbonate water

생성물 1

HCID 685848602-tert-Butyl-7-[(S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile

시약·촉매·용매 1

HCID 241
Benzene
용매
2회

실험 절차

2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-methoxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile (I-23) (10 mg, 23.1 μmol) was dissolved (partially suspended) in benzene (2.0 ml), and dropwise added to a benzene (2.0 ml) suspension reflux liquid of aluminium chloride (9.2 mg, 69.0 μmol). The benzene wash (8.0 ml) of the eggplant-type flask with the starting material adhering thereto was also added, followed by refluxing for 0.5 hours. After cooling, aluminium chloride (61.7 mg, 462 μmol) was further added, followed by further stirring under reflux for 15 minutes. After cooling, saturated sodium bicarbonate water (50 ml) was added to the reaction liquid, the product was extracted with chloroform (50 ml×2), ethyl acetate (50 ml).

후처리

  1. washThe benzene wash (8.0 ml) of the eggplant-type flask with the starting material adhering
  2. additionthereto was also added
  3. temperatureby refluxing for 0.5 hours
  4. temperatureAfter cooling
  5. temperatureunder reflux for 15 minutes
  6. temperatureAfter cooling
  7. extractionthe product was extracted with chloroform (50 ml×2), ethyl acetate (50 ml)

출처 및 근거

ORD 기록
ord-f1fbc936f0934ad7a1f753de2457b8f9
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07737166B2

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