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1-Cyclopropylethanamine → 1-[(1-Cyclopropylethyl)amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carbonitrile

HRID 1971022
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HRID 1971022 반응식
Cl[C:2]1[C:14]2[C:13]3[CH:12]=[C:11]([F:15])[CH:10]=[CH:9][C:8]=3[NH:7][C:6]=2[C:5]([C:16]#[N:17])=[CH:4][N:3]=1.[CH:18]1([CH:21]([NH2:23])[CH3:22])[CH2:20][CH2:19]1.C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.CC(C)([O-])C.[Na+]>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]>[CH:18]1([CH:21]([NH:23][C:2]2[C:14]3[C:13]4[CH:12]=[C:11]([F:15])[CH:10]=[CH:9][C:8]=4[NH:7][C:6]=3[C:5]([C:16]#[N:17])=[CH:4][N:3]=2)[CH3:22])[CH2:20][CH2:19]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 5192391-CyclopropylethanamineHCID 634876Binap, (A+-)-HCID 23676156Sodium t-butoxideHCID 591984921-chloro-8-fluoro-5H-pyrido[4,3-b]indole-4-carbonitrile

생성물 1

HCID 595431621-[(1-Cyclopropylethyl)amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carbonitrile

시약·촉매·용매 1

HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매

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온도
85 °C

실험 절차

1-Chloro-8-fluoro-5H-pyrido[4,3-b]indole-4-carbonitrile (400 mg, 1.63 mmol), 1-cyclopropylethanamine (594 mg, 4.89 mmol), Pd2(dba)3 (74.6 mg, 0.081 mmol), BINAP (152 mg, 0.24 mmol), and sodium tert-butoxide (782 mg, 8.14 mmol) were placed in a sealed tube. The mixture was evacuated and backfilled with argon three times. Fully degassed DME (8.1 ml) was added. The tube was sealed and the reaction was heated to 85° C. and stirred for 20 hrs. The reaction was cooled to ambient temperature, concentrated in vacuo, and directly purified via flash chromatography to afford the title compound. LRMS (APCI) calc'd for (C17H16FN4) [M+H]+, 295.1. found 295.0.

후처리

  1. customThe mixture was evacuated
  2. additionFully degassed DME (8.1 ml) was added
  3. customThe tube was sealed
  4. temperatureThe reaction was cooled to ambient temperature
  5. concentrationconcentrated in vacuo
  6. customdirectly purified via flash chromatography

출처 및 근거

ORD 기록
ord-bd8a8a6b38d14496af9496567f395c29
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08431569B2

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