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Iodine → (S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

HRID 534682
ノート
印刷プレビュー

反応式

HRID 534682 の反応式
II.[CH3:3][O:4][C:5](=[O:17])[C@H:6]([CH2:15]I)[NH:7][C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9].Br[C:19]1[C:26]([CH3:27])=[CH:25][C:22]([C:23]#[N:24])=[CH:21][C:20]=1[CH3:28].CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>CC(N(C)C)=O.CCOC(C)=O.[Zn].C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[CH3:3][O:4][C:5](=[O:17])[C@@H:6]([NH:7][C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:15][C:19]1[C:26]([CH3:27])=[CH:25][C:22]([C:23]#[N:24])=[CH:21][C:20]=1[CH3:28]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 807IodineHCID 80271Tri-o-tolylphosphineHCID 10903591methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoateHCID 110850704-Bromo-3,5-dimethyl-benzonitrile

生成物 1

HCID 46218695(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

試薬・触媒・溶媒 4

HCID 23994
Zinc
触媒
HCID 9811564Bis(dibenzylideneacetone)palladium触媒
HCID 8857Ethyl Acetate溶媒
HCID 31374Dimethylacetamide溶媒2 回

反応条件

温度
23 °C

実験手順

A 50 mL three-necked round bottom flask equipped with an addition funnel, magnetic stirrer, heating mantel, and thermocouple was charged under nitrogen dry DMAc (2 mL), I2 (38.1 mg, 0.15 mol) and zinc powder activated (washed with 10% HCl, rinsed with H2O and acetone) (393 mg, 6 mol). The resulting mixture was stirred at 23° C. until the red color of I2 disappeared (2 minutes). A solution of Boc-β-iodo-L-alanine methyl ester (1 g, 3 mol) in DMAc (2 mL) was added slowly, (temperature change from 21° C. to 29° C.) and the resulting mixture was stirred at 80° C. for 0.5-1 hour, then co cooled to 35° C. To the resulting mixture were added, successively, 4-bromo-3,5-dimethyl-benzonitrile (315 mg, 1.5 mol) in DMAc (6 mL), P(o-tol)3 (36.5 mg, 0.12 mol) and Pd2(dba)3 (55 mg, 0.06 mol). The resulting mixture was heated to 70° C., with stirring for 1 hour, then cooled to ambient temperature. The resulting mixture was diluted with EtOAc (15 mL) and filtered with STAND SUPER-CEL 815520. The EtOAc solution was quenched with 1 N HCl (40 mL) and extracted with ethyl acetate (20 mL). The combined organic phases were washed with H2O (2×50 mL) and then with 50% brine, dried over Na2SO4, filtered and evaporated to dryness in vacuo to yield a brown solid. The title compound was crystallized from EtOAc (5 mL) and heptanes (40 mL) to yield a white solid.

後処理

  1. customA 50 mL three-necked round bottom flask equipped with an addition funnel, magnetic stirrer
  2. temperatureheating mantel
  3. additionthermocouple was charged under nitrogen dry DMAc (2 mL)
  4. wash(washed with 10% HCl, rinsed with H2O and acetone) (393 mg, 6 mol)
  5. custom(2 minutes)
  6. stirring(temperature change from 21° C. to 29° C.) and the resulting mixture was stirred at 80° C. for 0.5-1 hour
  7. temperatureco cooled to 35° C
  8. additionTo the resulting mixture were added
  9. temperatureThe resulting mixture was heated to 70° C.
  10. stirringwith stirring for 1 hour
  11. temperaturecooled to ambient temperature
  12. filtrationfiltered with STAND SUPER-CEL 815520
  13. customThe EtOAc solution was quenched with 1 N HCl (40 mL)
  14. extractionextracted with ethyl acetate (20 mL)
  15. washThe combined organic phases were washed with H2O (2×50 mL)
  16. dry with materialwith 50% brine, dried over Na2SO4
  17. filtrationfiltered
  18. customevaporated to dryness in vacuo
  19. customto yield a brown solid
  20. customThe title compound was crystallized from EtOAc (5 mL) and heptanes (40 mL)
  21. customto yield a white solid

出典と根拠

ORDレコード
ord-db7c413a0b1b4eb99efa6ecb1c0cb785
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08853445B2

反応ノート

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