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Acetic Acid → N-(4-hydroxybenzyl)-4-nitrobenzamide

HRID 923527
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HRID 923527 반응식
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH2:7])=[CH:4][CH:3]=1.[N+:10]([C:13]1[CH:21]=[CH:20][C:16]([C:17](Cl)=[O:18])=[CH:15][CH:14]=1)([O-:12])=[O:11].C(O)(=O)C.CO>C(Cl)Cl>[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH:7][C:17](=[O:18])[C:16]2[CH:15]=[CH:14][C:13]([N+:10]([O-:12])=[O:11])=[CH:21][CH:20]=2)=[CH:4][CH:3]=1
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참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 887MethanolHCID 85024-Nitrobenzoyl chlorideHCID 974724-Hydroxybenzylamine

생성물 1

HCID 12714523N-(4-hydroxybenzyl)-4-nitrobenzamide수율 58.5%

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To a stirring solution of 4-hydroxybenzylamine (0.5 g, 4.06 mmol) and TEA (2.26 mL, 16.24 mmol) in DCM (20 mL) at 0° C. was added 4-nitrobenzoyl chloride (1.66 g, 8.93 mmol) and left at room temperature for 1 h. The reaction mixture was diluted with DCM (100 mL), washed with NaHCO3 (50 mL), and the organic layer reduced to dryness. The resulting residue was diluted with MeOH (25 mL) and DCM (5 mL), to which NaOH (18.0 mL, 1.0 M) was added. After stirring at room temperature for 10 min, analysis showed the bis-acylated material was cleaved to give the desired mono-acylated product. The reaction mixture was acidified with acetic acid until neutral and the MeOH removed under vacuum. The product was extracted into DCM (50 mL) and washed with brine (50 mL). The organic residue was purified by chromatography (EA/hexanes), to afford 647 mg (58%) of N-(4-hydroxybenzyl)-4-nitrobenzamide INT-1. LCMS-ESI (m/z) calculated for C14H12N2O4: 272; found 273 [M+H]+, tR=1.84 min (Method 5).

후처리

  1. washwashed with NaHCO3 (50 mL)
  2. additionThe resulting residue was diluted with MeOH (25 mL) and DCM (5 mL), to which NaOH (18.0 mL, 1.0 M)
  3. additionwas added
  4. customto give the desired mono-acylated product
  5. customremoved under vacuum
  6. extractionThe product was extracted into DCM (50 mL)
  7. washwashed with brine (50 mL)
  8. customThe organic residue was purified by chromatography (EA/hexanes)

출처 및 근거

ORD 기록
ord-7156f304a4a846ec988b057143d50880
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09278910B2

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