Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 178507354, 화합물

HRID 1910273노트

반응식

HRID 1910273 반응식
O.C1C2C(=CC=CC=2)C=C(C(O)=O)N=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[N+](C1C=CC2NC(N)=NC=2C=1)([O-])=O.[N+:52]([C:55]1[CH:76]=[CH:75][C:58]2[NH:59][C:60]([NH:62][C:63]([C:65]3[N:66]=[CH:67][C:68]4[C:73]([CH:74]=3)=[CH:72][CH:71]=[CH:70][CH:69]=4)=[O:64])=[N:61][C:57]=2[CH:56]=1)([O-:54])=[O:53]>>[N+:52]([C:55]1[CH:76]=[CH:75][C:58]2[NH:59][C:60]([NH:62][C:63]([C:65]3[N:66]=[CH:67][C:68]4[C:73]([CH:74]=3)=[CH:72][CH:71]=[CH:70][CH:69]=4)=[O:64])=[N:61][C:57]=2[CH:56]=1)([O-:54])=[O:53].[NH2:52][C:55]1[CH:76]=[CH:75][C:58]2[NH:59][C:60]([NH:62][C:63]([C:65]3[N:66]=[CH:67][C:68]4[C:73]([CH:74]=3)=[CH:72][CH:71]=[CH:70][CH:69]=4)=[O:64])=[N:61][C:57]=2[CH:56]=1

참가 물질

6

반응물 4

HCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 27367043-Isoquinolinecarboxylic acid hydrateHCID 178508200HCID 178508200, 화합물HCID 178522497HCID 178522497, 화합물

생성물 2

HCID 178507354HCID 178507354, 화합물HCID 178522497HCID 178522497, 화합물

실험 절차

Isoquinoline-3-carboxylic acid (5-nitro-1H-benzoimidazol-2-yl)-amide was synthesized from 3.5 g (20 mmol) of isoquinoline-3-carboxylic acid monohydrate, 7.6 g (20 mmol)of HBTU, and 3.56 g (20 mmol) of the above described 5-nitro-1H-benzoimidazol-2-ylamine as described in general procedure A. A 0.50 g (1.5 mmol) portion of this isoquinoline-3-carboxylic acid (5-nitro-1H-benzoimidazol-2-yl)-amide was subsequently hydrogenated according to general procedure C to produce isoquinoline-3-carboxylic acid (5-amino-1H-benzoimidazol-2-yl)-amide. LCMS: 304 (M+1)+.

출처 및 근거

ORD 기록
ord-3ed3e00ce88f4cbbbd9a7046e4909085
출처 데이터셋
uspto-grants-2013_12
특허 번호
US08598353B2

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