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Peracetic Acid → t-Butyl 3-methyl-7beta-phenylacetamidoceph-3-em-4-carboxylate

HRID 1763807
ノート
印刷プレビュー

反応式

HRID 1763807 の反応式
[C:1]1([CH2:7][C:8](Cl)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:11][C@@H:12]1[C:27](=[O:28])[N:14]2[C:15]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])=[C:16]([CH3:19])[CH2:17][S:18][C@H:13]12.C(OO)(=O)C.C(=O)([O-])O.[Na+]>CC(N(C)C)=O.C(#N)C>[CH3:19][C:16]1[CH2:17][S:18][C@@H:13]2[C@H:12]([NH:11][C:8](=[O:9])[CH2:7][C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)[C:27](=[O:28])[N:14]2[C:15]=1[C:20]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:21]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 6585Peracetic AcidHCID 7679Phenylacetyl chlorideHCID 516892Sodium BicarbonateHCID 10869362t-Butyl 7beta-amino-3-methyl-3-cephem-4-carboxylate

生成物 1

HCID 12895284t-Butyl 3-methyl-7beta-phenylacetamidoceph-3-em-4-carboxylate

試薬・触媒・溶媒 2

HCID 6342
Acetonitrile
溶媒
HCID 31374Dimethylacetamide溶媒

実験手順

Phenylacetyl chloride (0.58 ml, 1.1 equiv.) was added to a stirred solution of t-butyl 7β-amino-3-methylceph-3-em-4-carboxylate (1.08 g, 4 mmole) in dimethylacetamide (2.5 ml) and acetonitrile (10 ml.) The mixture was stirred at ca. 25° for 45 minutes and the acetonitrile was removed in vacuo. Water (50 ml) and ethyl acetate (150 ml) were added and the organic phase was washed with water, 3% sodium hydrogen carbonate solution and water (50 ml of each), dried and evaporated. The residual colourless oil was dissolved in methylene chloride (10 ml) and cooled in an ice-bath while peracetic acid (40% w/v; 1.16 ml, 1.1 equiv.) was added dropwise. The solution was stirred at ca. 20° for 30 minutes and saturated sodium hydrogen carbonate solution (20 ml) was added. The organic phase was washed with water (50 ml), dried and evaporated to a white gelatinous solid, t.l.c. (acetone-methylene chloride; 1:4) Rf 0.49, 0.80, which was purified by chromatography on Kieselgel G (50g). Elution with acetonemethylene chloride (1:9) gave a pale yellow solid which was crystallised from acetone-light petroleum, b.p. 40°-60° (1:1; 10 ml) to give t-butyl 3-methyl-7β-phenylacetamidoceph-3-em-4-carboxylate, 1,1-dioxide (0.17 g, 11 %), m.p. 87 to 88°, [α]D + 36.5°, λmax. 259 nm (ε 8,150), νmax. (CHBr3) 3410 (NH), 1798 (acetidin-2-one), 1714 (CO2R) and 1680 and 1510 cm-1 (CONH), τ (CDCl3) 2.66 (5H,s; C6H5), 3.06 (1H,d, J 10.5 Hz; NH), 3.90 (1H,dd, J 10.5, 5Hz; C7 -H), 5.19 (1H,d, J 5 Hz; C6 -H), 6.09, 6.55 (2H, AB-q, J 18 Hz; C2 -H2), 6.34 (2H,s; C6H5CH2), 7.94 (3H,s; C3 -CH3), 8.49 (9H,s; CO2C(CH3)3). (Found: C, 56.9; 56.6; H, 5.8; 5.7; N, 6.3, 6.3; S, 7.4 C20H24N2O6S (420.5) requires C, 57.1; H, 5.75; N, 6.7; S, 7.6%). Further elution with acetone-methylene chloride (1:9) gave a white gelatinous solid which dissolved in acetone (10 ml) and reprecipitated by addition of light petroleum (b.p. 40°-60°; 10 ml) to give the title ester 1β-oxide (1.04 g, 67%), m.p. 181° to 182° (dec), [α]D + 164°, λmax. 265 nm (ε 7,900), νmax. (CHBr3) 3390 (NH), 1790 (azetidin-2-one), 1716 (CO2R), 1678 and 1510 (CONH) and 1050 cm-1 (S→O), τ (CDCl3 + 3 drops Me2SO-d6) 2.68 (5H,s; C6H5), 4.12 (1H,dd, J 9.5,4.5 Hz; C7 -H), 5.34 (1H,d, J 4.5 Hz; C6 -H), 6.37 (2H,s; C6H5CH2), 6.56 (2H,s; C2 -H2), 7.91 (3H,s; C3 -CH3), 8.47 (9H,s; CO2C(CH3)3) (Found: C, 60.0, 59.6; H, 6.1, 5.9; N, 6.7, 6.7; S, 7.8 C20H24N2O5S (404.5) requires C, 59.4; H, 6.0; N, 6.9; S, 7.9%).

後処理

  1. customthe acetonitrile was removed in vacuo
  2. additionWater (50 ml) and ethyl acetate (150 ml) were added
  3. washthe organic phase was washed with water, 3% sodium hydrogen carbonate solution and water (50 ml of each),
  4. customdried
  5. customevaporated
  6. dissolutionThe residual colourless oil was dissolved in methylene chloride (10 ml)
  7. additionwas added dropwise
  8. stirringThe solution was stirred at ca. 20° for 30 minutes
  9. washThe organic phase was washed with water (50 ml)
  10. customdried
  11. customevaporated to a white gelatinous solid
  12. custom(acetone-methylene chloride; 1:4) Rf 0.49, 0.80, which was purified by chromatography on Kieselgel G (50g)
  13. washElution with acetonemethylene chloride (1:9)
  14. customgave a pale yellow solid which
  15. customwas crystallised from acetone-light petroleum, b.p. 40°-60° (1:1; 10 ml)

出典と根拠

ORDレコード
ord-864d02fd1e1d4434afdf2507afd25d63
出典データセット
uspto-grants-1978_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04113591

反応ノート

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