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Water → 6-Nitro-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

HRID 64358
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HRID 64358 반응식
[N+:1]([C:4]1[CH:5]=[N:6][C:7]2[N:8]([N:10]=[C:11]([C:15]3[CH:20]=[CH:19][C:18]([O:21][C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)=[CH:17][CH:16]=3)[C:12]=2[C:13]#[N:14])[CH:9]=1)([O-:3])=[O:2].[BH4-].[Na+].O>C(O)C.C(Cl)Cl>[N+:1]([CH:4]1[CH2:9][N:8]2[N:10]=[C:11]([C:15]3[CH:16]=[CH:17][C:18]([O:21][C:22]4[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=4)=[CH:19][CH:20]=3)[C:12]([C:13]#[N:14])=[C:7]2[NH:6][CH2:5]1)([O-:3])=[O:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 962WaterHCID 4311764Sodium borohydrideHCID 117668253HCID 117668253, 화합물

생성물 1

HCID 1369280626-Nitro-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile수율 55.3%

시약·촉매·용매 2

HCID 702Ethanol용매HCID 6344
Dichloromethane
용매

실험 절차

To a solution of 6-nitro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (90 mg, 0.25 mmol) in 2 mL of ethanol and 2 mL of DCM was added NaBH4 (19 mg, 0.5 mmol) at RT. After stirring at RT for 30 min, 5 mL of water was added. The mixture was concentrated. The residue was partitioned between 50 mL of DCM and 50 mL of brine. The combined organic layers were washed with brine (50 mL×2), dried over Na2SO4 and concentrated to afford 50 mg of 6-nitro-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (55%) as a yellow solid. MS (ESI) m/e [M+1]+ 362.1.

후처리

  1. concentrationThe mixture was concentrated
  2. customThe residue was partitioned between 50 mL of DCM and 50 mL of brine
  3. washThe combined organic layers were washed with brine (50 mL×2)
  4. dry with materialdried over Na2SO4
  5. concentrationconcentrated

출처 및 근거

ORD 기록
ord-7180aa25459f4913a5a24e38de8fab99
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09447106B2

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