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Lithium Hydroxide → [4-({tert-Butoxycarbonyl-[2-(2,6-dichloro-phenyl)-ethyl]-amino}-methyl)-phenyl]-acetic acid

HRID 553283
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HRID 553283 반응식
C([O:3][C:4](=[O:14])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH:12]=O)=[CH:8][CH:7]=1)C.COC([O:20][CH3:21])OC.[Cl:22][C:23]1[CH:28]=[CH:27][CH:26]=[C:25]([Cl:29])[C:24]=1[CH2:30][CH2:31][NH2:32].[C:33](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[OH-:47].[Li+].O1[CH2:53][CH2:52][CH2:51]C1>CN(C)C=O.O.C(O)(=O)C>[C:52]([O:47][C:21]([N:32]([CH2:12][C:9]1[CH:8]=[CH:7][C:6]([CH2:5][C:4]([OH:3])=[O:14])=[CH:11][CH:10]=1)[CH2:31][CH2:30][C:24]1[C:23]([Cl:22])=[CH:28][CH:27]=[CH:26][C:25]=1[Cl:29])=[O:20])([CH3:51])([CH3:53])[CH3:33]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 6

HCID 3939Lithium HydroxideHCID 8028TetrahydrofuranHCID 9005Trimethyl orthoformateHCID 27341012,6-DichlorophenethylamineHCID 5049666Sodium triacetoxyborohydrideHCID 11310039Ethyl 2-(4-formylphenyl)acetate

생성물 1

HCID 67165981
[4-({tert-Butoxycarbonyl-[2-(2,6-dichloro-phenyl)-ethyl]-amino}-methyl)-phenyl]-acetic acid

시약·촉매·용매 3

HCID 176Acetic Acid용매2회HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

(4-Formylphenyl)-acetic acid ethyl ester (Example 16, step a, 0.44 g) was added to a solution of acetic acid (0.14 mL), trimethylorthoformate (2.53 g) and 2-(2,6-dichlorophenyl)ethylamine (0.54 mL) in dimethylformamide (10 mL) and stirred at room temperature, under nitrogen. After 1 hour, sodium triacetoxyborohydride (0.79 g) was added and the resulting mixture stirred for 18 hours, then concentrated. The residue was dissolved in methanol (5 mL) and loaded onto conditioned Tosic-65A resin (5 g, Argonaut). The resin was washed with methanol (3×20 mL) and then eluted with 3M methanolic ammonia solution (2×15 mL). The combined elution fractions were evaporated. The residue was dissolved in dichloromethane (10 mL) and di-tert-butyl dicarbonate (0.42 g) was added. The mixture was stirred at room temperature, under nitrogen, for 18 hours. Purification on silica, eluting with a gradient of iso-hexane/ethyl acetate [1:0 to 9:1] to give a clear oil. The oil was dissolved in tetrahydrofuran (4 mL) and a solution of lithium hydroxide (21 mg) in water (2 mL) was added and stirred for 18 hours, under nitrogen. The pH was adjusted to pH˜4 with acetic acid and the mixture concentrated to ˜2 mL. The aqueous residue was extracted with ethyl acetate (3×10 mL), the organics combined, washed with brine (10 mL), dried (magnesium sulfate) and evaporated, to give the subtitle compound as a gum (350 mg).

후처리

  1. stirringthe resulting mixture stirred for 18 hours
  2. concentrationconcentrated
  3. dissolutionThe residue was dissolved in methanol (5 mL)
  4. washThe resin was washed with methanol (3×20 mL)
  5. washeluted with 3M methanolic ammonia solution (2×15 mL)
  6. washThe combined elution fractions
  7. customwere evaporated
  8. dissolutionThe residue was dissolved in dichloromethane (10 mL)
  9. additiondi-tert-butyl dicarbonate (0.42 g) was added
  10. stirringThe mixture was stirred at room temperature, under nitrogen, for 18 hours
  11. customPurification on silica
  12. washeluting with a gradient of iso-hexane/ethyl acetate [1:0 to 9:1]
  13. customto give a clear oil
  14. stirringstirred for 18 hours, under nitrogen
  15. concentrationthe mixture concentrated to ˜2 mL
  16. extractionThe aqueous residue was extracted with ethyl acetate (3×10 mL)
  17. washwashed with brine (10 mL)
  18. dry with materialdried (magnesium sulfate)
  19. customevaporated

출처 및 근거

ORD 기록
ord-5d2a07d82cb34ad1b9c0e937aa65ea5f
출처 데이터셋
uspto-grants-2011_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07951954B2

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