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Pyridine → 2-(4-Tert-butylphenyl)-6-nitro-3,1-benzoxazin-4-one

HRID 842383
ノート
印刷プレビュー

反応式

HRID 842383 の反応式
[N+:1]([C:4]1[CH:12]=[C:8]([C:9]([OH:11])=[O:10])[C:7]([NH2:13])=[CH:6][CH:5]=1)([O-:3])=[O:2].N1C=CC=CC=1.[C:20]([C:24]1[CH:32]=[CH:31][C:27]([C:28](Cl)=O)=[CH:26][CH:25]=1)([CH3:23])([CH3:22])[CH3:21].O1C2C=CC=CC=2CC(=O)N1.C(Cl)(=O)C(Cl)=O>CN(C=O)C.C(Cl)Cl>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]2[N:13]=[C:28]([C:27]3[CH:31]=[CH:32][C:24]([C:20]([CH3:23])([CH3:22])[CH3:21])=[CH:25][CH:26]=3)[O:10][C:9](=[O:11])[C:8]=2[CH:12]=1)([O-:3])=[O:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 1049PyridineHCID 120322-Amino-5-nitrobenzoic acidHCID 65578Oxalyl chlorideHCID 743724-tert-Butylbenzoyl chlorideHCID 199374482H-1,2-Benzoxazin-3(4H)-one

生成物 1

HCID 3855992-(4-Tert-butylphenyl)-6-nitro-3,1-benzoxazin-4-one収率 93.6%

試薬・触媒・溶媒

2
HCID 6228Dimethylformamide溶媒2 回HCID 6344Dichloromethane溶媒

実験手順

To a mixture of 5-nitroanthranilic acid (24.59 g, 135 mmol) and pyridine (14.19 mL, 175.5 mmol, 1.3 eq) in DMF (140 mL) at 0° C., under N2, was added 4-t-butylbenzoyl chloride (31.64 mL, 162 mmol, 1.2 eq) over 15 min. After warming to room temperature, the reaction mixture was heated to 80° C. for 4 h. The reaction mixture was cooled and poured into 700 mL ice-water and stirred to break up the solid material. Filtration, with water followed with 1:2 Et2O:hexane washes, and vacuum drying (150° C./13 Pa/2 h) afforded a light brown solid as a mixture of acid and benzoxazinone (37.1 g, 80%). The solid was suspended in DMF (0.4 mL, 5.4 mmol, 0.05 eq) and methylene chloride (200 mL), under N2, and oxalyl chloride (10.4 mL, 119.2 mmol, 1.1 eq) was added dropwise. Vigorous gas evolution was observed. The solid went into solution over 2 h. The mixture was concentrated to a volume of about 125 mL (cold) in vacuo and filtered to give a light tan solid (about 10 g). A second crop was about 85% pure (about 10 g). The mother liquor was evaporated to dryness and vacuum dried (80° C./13 Pa/3 h) to afford a light brown solid product, 95% pure (about 12 g).

後処理

  1. temperaturethe reaction mixture was heated to 80° C. for 4 h
  2. temperatureThe reaction mixture was cooled
  3. filtrationFiltration
  4. dry with materialhexane washes, and vacuum drying (150° C./13 Pa/2 h)
  5. customafforded a light brown solid
  6. concentrationThe mixture was concentrated to a volume of about 125 mL (cold) in vacuo
  7. filtrationfiltered

出典と根拠

ORDレコード
ord-d1111264cab44a6a9d9d969e8aa93686
出典データセット
uspto-grants-2002_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06372759B1

反応ノート

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