홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Iodine → Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

HRID 2408942
노트
인쇄 미리보기

반응식

HRID 2408942 반응식
II.[CH3:3][O:4][C:5](=[O:17])[C@H:6]([NH:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:7][I:8].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.BrC1CCCC=1>CN(C=O)C.[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].C(Cl)Cl>[CH3:3][O:4][C:5](=[O:17])[CH:6]([NH:9][C:10]([O:12][C:13]([CH3:15])([CH3:14])[CH3:16])=[O:11])[CH2:7][I:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 4

HCID 807Iodine2회HCID 109646601-Bromocyclopent-1-eneHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 11416215(S)-Methyl 2-Boc-amino-3-iodopropionate

생성물 1

HCID 5051066Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate수율 30%

시약·촉매·용매 4

HCID 23994
Zinc
촉매
HCID 9811564Bis(dibenzylideneacetone)palladium촉매
HCID 6228Dimethylformamide용매2회
HCID 6344Dichloromethane용매

실험 절차

To a three necked flask charged with zinc dust (2.23 g, 34.1 mmol) under an N2 atmosphere DMF (13 mL) was added. The suspension was efficiently stirred and I2 (0.20 g, 0.80 mmol) was added. ((S)-2-[(tert-Butoxycarbonyl)amino]-3-iodopropionic acid methyl ester (4.50 g, 13.7 mmol) was added in one portion, and immediately after more I2 (0.20 g, 0.80 mmol) and the stirring was continued for 2 h. Negishi coupling was then effected by addition in direct sequence of: Pd2 dba3 (315 mg, 0.34 mmol), 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl (279 mg, 0.68 mmol), and 1-bromocyclopentene (2.32 g, 15.8 mmol) in DMF (4 mL). The reaction was stirred over night. DCM (25 mL) was added and the mixture was filtered, the solids were washed with further DCM, water (30 mL) was added and the phases were separated. The aqueous phase was extracted with DCM (2×20 mL) and the combined organic phases were washed with H2O (20 mL), dried MgSO4, filtered and evaporated. The residue was purified by gradient silica gel chromatography (4-16% EtOAc in iso-hexane) which gave the title compound 1.24 g (30%). GC-MS EI m/z 213 (w), 196 (w), 152, 88, 57, 41.

후처리

  1. additionwas added
  2. stirringThe reaction was stirred over night
  3. filtrationthe mixture was filtered
  4. washthe solids were washed with further DCM, water (30 mL)
  5. additionwas added
  6. customthe phases were separated
  7. extractionThe aqueous phase was extracted with DCM (2×20 mL)
  8. washthe combined organic phases were washed with H2O (20 mL), dried MgSO4
  9. filtrationfiltered
  10. customevaporated
  11. customThe residue was purified by gradient silica gel chromatography (4-16% EtOAc in iso-hexane) which

출처 및 근거

ORD 기록
ord-1178c3e4b5f640458f74fddce870fbbc
출처 데이터셋
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08815809B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트