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Triphenylphosphine → 1-[4-(7-Chloro-1-methoxy-isoquinolin-6-yloxy)-1-trifluoromethyl-cyclohexyl]-propylamine

HRID 1948169
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HRID 1948169 반응식
[NH2:1][CH:2]([C:5]1([C:12]([F:15])([F:14])[F:13])[CH2:10][CH2:9][CH:8]([OH:11])[CH2:7][CH2:6]1)[CH2:3][CH3:4].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)C(C)C)(C)C.[Cl:44][C:45]1[CH:54]=[C:53]2[C:48]([CH:49]=[CH:50][N:51]=[C:52]2[O:55][CH3:56])=[CH:47][C:46]=1O.N(C(OCC)=O)=NC(OCC)=O>C(Cl)Cl.C1COCC1>[CH2:52]([O:55][CH3:56])[CH2:53][CH2:48][CH3:47].[CH3:4][CH2:3][CH2:2][CH2:5][CH2:6][CH2:7][CH3:8].[Cl:44][C:45]1[CH:54]=[C:53]2[C:48]([CH:49]=[CH:50][N:51]=[C:52]2[O:55][CH3:56])=[CH:47][C:46]=1[O:11][CH:8]1[CH2:9][CH2:10][C:5]([CH:2]([NH2:1])[CH2:3][CH3:4])([C:12]([F:13])([F:14])[F:15])[CH2:6][CH2:7]1
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참가 물질

9

반응물 5

HCID 11776TriphenylphosphineHCID 81531DiisopropylethylamineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 583808434-(1-Amino-propyl)-4-trifluoromethyl-cyclohexanolHCID 1361750037-Chloro-6-hydroxy-1-methoxyisoquinoline

생성물 2

HCID 58380840
1-[4-(7-Chloro-1-methoxy-isoquinolin-6-yloxy)-1-trifluoromethyl-cyclohexyl]-propylamine
수율 21.9%
HCID 131730307Butylmethyl ether n-heptane

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매

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온도
0 °C

실험 절차

790 mg (3.51 mmol) of 4-(1-Amino-propyl)-4-trifluoromethyl-cyclohexanol (74) were dissolved using 8.0 ml of anhydrous THF. 1.20 g (4.56 mmol) of triphenylphosphin, 0.58 ml (3.51 mmol) of N,N-diisopropylethylamine, and 735 mg (3.51 mmol) of 7-chloro1-methoxy-isoquinolin-6-ol (81) were added and the mixture cooled to 0° C. At this temperature, 0.83 ml (5.26 mmol) of diethyl azodicarboxylate were added and the mixture stirred for 16 h at ambient temperature. Afterwards, the mixture was diluted with 20 ml of CH2Cl2 and washed successively with 20 ml of a 1N aqueous solution of NaOH, with 20 ml of a saturated aqueous solution of NH4Cl, using 20 ml of water, and with 20 ml of a saturated aqueous solution of NaCl, respectively. The organic layer was then treated with 20 ml of a 1N aqueous solution of HCl. Crude product precipitated, was filtered off and resuspended in 20 ml of a 1N aqueous solution of NaOH. This suspension was extracted three times using 20 ml of CH2Cl2. The organic layer was then dried using MgSO4 and evaporated. Chromatography of the residue on silica gel using t.-butylmethyl ether/n-heptane 1:1+1% acetic acid yielded 160 mg of the desired product as its acetate. Rt=0.79 min (Method P). Detected mass: 417.2 (M+H+).

후처리

  1. washwashed successively with 20 ml of a 1N aqueous solution of NaOH, with 20 ml of a saturated aqueous solution of NH4Cl
  2. additionThe organic layer was then treated with 20 ml of a 1N aqueous solution of HCl
  3. customCrude product precipitated
  4. filtrationwas filtered off
  5. extractionThis suspension was extracted three times
  6. customThe organic layer was then dried
  7. customevaporated

출처 및 근거

ORD 기록
ord-1b299d4c086e410f85e954d31ef34572
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399482B2

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