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Heptane → Ipragliflozin

HRID 420432
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HRID 420432 반응식
CC1C(C)=C(C)C(C)=C(C)C=1.CCCCCCC.B(Cl)(Cl)Cl.[S:23]1[C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=2[CH:25]=[C:24]1[CH2:32][C:33]1[CH:34]=[C:35]([C@@H:40]2[O:69][C@H:68]([CH2:70][O:71]CC3C=CC=CC=3)[C@@H:59]([O:60]CC3C=CC=CC=3)[C@H:50]([O:51]CC3C=CC=CC=3)[C@H:41]2[O:42]CC2C=CC=CC=2)[CH:36]=[CH:37][C:38]=1[F:39]>ClCCl.CO>[S:23]1[C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=2[CH:25]=[C:24]1[CH2:32][C:33]1[CH:34]=[C:35]([C@@H:40]2[O:69][C@H:68]([CH2:70][OH:71])[C@@H:59]([OH:60])[C@H:50]([OH:51])[C@H:41]2[OH:42])[CH:36]=[CH:37][C:38]=1[F:39]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8900HeptaneHCID 12784PentamethylbenzeneHCID 25135Boron TrichlorideHCID 59426851HCID 59426851, 화합물

생성물 1

HCID 10453870Ipragliflozin수율 83.2%

시약·촉매·용매 2

HCID 887Methanol용매
HCID 6344
Dichloromethane
용매

실험 절차

Pentamethylbenzene (4.85 g) and a n-heptane solution (16.3 mL) containing 1.0 M of boron trichloride were added to a solution of (1s)-1,5-anhydro-1-[3-(1-benzothien-2-ylmethyl)-4-fluorophenyl]-2,3,4,6-tetra-O-benzyl-D-glucitol (2.5 g) dissolved in dichloromethane (50 mL, cooled to −78° C.) in an argon stream. The mixture was stirred at the same temperature for 2 hours. After the completion of the reaction, methanol (100 mL) was added for decomposition of the excessive reagent, and the solvents were removed by vacuum distillation. The residue was purified by silica gel column chromatography (chloroform-methanol). The obtained residue was suspended in a mixed solvent of ethanol and water and was refluxed with heating to dissolve. The resulting solution was slowly cooled to room temperature for recrystallization. The obtained crystal was collected by filtration and then dried under vacuum and heating to obtain (1S)-1,5-anhydro-1-[3-(1-benzothien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (known compound A) (1.1 g) as a white crystal. The differential scanning calorimetry analysis chart (DSC analysis chart) of the known compound A obtained is shown in FIG. 1, and its X-ray powder diffraction chart is shown in FIG. 2.

후처리

  1. additionwas added for decomposition of the excessive reagent
  2. customthe solvents were removed by vacuum distillation
  3. customThe residue was purified by silica gel column chromatography (chloroform-methanol)
  4. temperaturewas refluxed
  5. temperaturewith heating to dissolve
  6. filtrationThe obtained crystal was collected by filtration
  7. customdried under vacuum
  8. temperatureheating

출처 및 근거

ORD 기록
ord-57e7ff9611bd474b9c2e1e18c2b15fcc
출처 데이터셋
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08097592B2

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