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Hydrochloric Acid → (3S,4R)-1-ethyl-3-fluoropiperidin-4-amine dihydrochloride

HRID 1257567
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HRID 1257567 반응식
[CH2:1]([N:3]1[CH2:8][CH2:7][C@@H:6]([NH:9]C(=O)C2C=CC=CC=2)[C@@H:5]([F:18])[CH2:4]1)[CH3:2].[ClH:19]>>[ClH:19].[ClH:19].[CH2:1]([N:3]1[CH2:8][CH2:7][C@@H:6]([NH2:9])[C@@H:5]([F:18])[CH2:4]1)[CH3:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 313Hydrochloric AcidHCID 56954901N-((3S,4R)-1-ethyl-3-fluoropiperidin-4-yl)benzamide

생성물 1

HCID 67353865(3S,4R)-1-ethyl-3-fluoropiperidin-4-amine dihydrochloride수율 88.8%

실험 절차

A solution of N-((3S,4R)-1-ethyl-3-fluoropiperidin-4-yl)benzamide (6.58 kg, 24.16 mol) in aqueous hydrochloric acid (35 L, 209 mol) was heated to 130° C. external temperature for 10 hours then was allowed to stand overnight at room temperature. The precipitated solid was filtered off and washed with water (2 L). The filtrate was concentrated, and ethanol (20 L) was added at 60° C. The solution was slowly cooled to room temperature overnight, crystallization occurred, and the yellow suspension was cooled to 0° C. for 1 h, filtered over a glass frit, washed with chilled ethanol (10 L, 0° C.), and diethyl ether (5 L). The tan solid was removed from the filter and dried in vacuum oven to yield 4.70 kg of (3S,4R)-1-ethyl-3-fluoropiperidin-4-amine dihydrochloride (85%). 1H NMR (400 MHz, MeOD) δ 5.35 (d, J=47.2 Hz, 1H), 4.32-3.43 (m, 4H), 3.32 (s, 3H), 2.32 (s, 2H), 1.40 (s, 3H), 1.16 (d, J=6.1 Hz, 2H).

후처리

  1. filtrationThe precipitated solid was filtered off
  2. washwashed with water (2 L)
  3. concentrationThe filtrate was concentrated
  4. additionethanol (20 L) was added at 60° C
  5. customcrystallization
  6. temperaturethe yellow suspension was cooled to 0° C. for 1 h
  7. filtrationfiltered over a glass frit
  8. washwashed with chilled ethanol (10 L, 0° C.), and diethyl ether (5 L)
  9. customThe tan solid was removed from the
  10. filtrationfilter
  11. customdried in vacuum oven

출처 및 근거

ORD 기록
ord-13bc27820d564c04876e44ed19234f78
출처 데이터셋
uspto-grants-2013_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08461328B2

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