Hydrochloric Acid → 4-Fluoro-2-1,2,3-triazol-2-yl-benzylamine hydrochloride

HRID 1726579

반응식

HRID 1726579 반응식
[F:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([N:10]2[N:14]=[CH:13][CH:12]=[N:11]2)[CH:3]=1.[ClH:15]>C(O)C.[Pd]>[ClH:15].[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH2:7])=[C:4]([N:10]2[N:14]=[CH:13][CH:12]=[N:11]2)[CH:3]=1

참가 물질

5

반응물 2

HCID 313Hydrochloric AcidHCID 210698744-Fluoro-2-1,2,3-triazol-2-yl-benzonitrile

생성물 1

HCID 210698754-Fluoro-2-1,2,3-triazol-2-yl-benzylamine hydrochloride

시약·촉매·용매 2

HCID 23938Palladium촉매HCID 702Ethanol용매

실험 절차

Intermediate 77, 4-fluoro-2-1,2,3-triazol-2-yl-benzonitrile, (0.34 g, 1.8 mmol) was dissolved in ethanol (50 mL). 1N HCl (10 mL) was added along with a catalytic amount of 10%-Pd—C. The mixture was shaken under H2 at 55 psi for 4 h after which it was filtered through Celite and concentrated to give the title compound as the corresponding HCl salt. Yellow solid (0.402 g, 98% yield). 1H-NMR (500 MHz, CD3OD) δ ppm: 8.13 (2H, s), 7.87 (1H, dd, J=4.9, 2.6 Hz), 7.73 (1H, dd, J=4.9, 2.6 Hz), 7.34 (1H, td, J=8.2, 2.7 Hz), 4.35 (2H, s). LCMS [M+H]+ calcd for C9H10N4F: 193.08; found: 193.16.

후처리

  1. filtrationwas filtered through Celite
  2. concentrationconcentrated

출처 및 근거

ORD 기록
ord-0b23684953264efeb716f63dad225b9e
출처 데이터셋
uspto-grants-2009_02
특허 번호
US07491819B1

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