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Cesium carbonate → HCID 58958591, 화합물

HRID 915581
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HRID 915581 반응식
[CH:1]1([C:6]2[CH:10]=[C:9]([NH2:11])[N:8]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[CH3:18])[N:7]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.Br[C:20]1[CH:29]=[CH:28][CH:27]=[CH:26][C:21]=1[C:22]([O:24][CH3:25])=[O:23].C(=O)([O-])[O-].[Cs+].[Cs+].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>C1(C)C=CC=CC=1.C(OCC)(=O)C.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:1]1([C:6]2[CH:10]=[C:9]([NH:11][C:20]3[CH:29]=[CH:28][CH:27]=[CH:26][C:21]=3[C:22]([O:24][CH3:25])=[O:23])[N:8]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[CH3:18])[N:7]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 10796Cesium carbonateHCID 11894Methyl 2-bromobenzoateHCID 634876Binap, (A+-)-HCID 58958606HCID 58958606, 화합물2회

생성물 1

HCID 58958591HCID 58958591, 화합물수율 58.5%

시약·촉매·용매 3

HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 1140Toluene용매
HCID 8857Ethyl Acetate용매

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온도
110 °C

실험 절차

A mixture of 3-cyclopentyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (Intermediate B, 400 mg, 1.66 mmol), methyl 2-bromobenzoate (297 mg, 1.38 mmol), cesium carbonate (630 mg, 1.93 mmol), BINAP (87 mg, 0.14 mmol), and Pd2(dba)3 (72 mg, 0.07 mmol) in anhydrous toluene (4 mL) was heated to 110° C. for 16 h under an argon atmosphere. The reaction mixture was cooled to rt, diluted with ethyl acetate, filtered, and concentrated under reduced pressure. The residue was purified by silica gel chromatography using EtOAc/Hex (1:8, v/v) as the eluent. The product was obtained as a light yellow oil (303 mg, 58%). ES-MS m/z 376.3 (MH+); HPLC RT (min) 3.94.

후처리

  1. temperatureThe reaction mixture was cooled to rt
  2. filtrationfiltered
  3. concentrationconcentrated under reduced pressure
  4. customThe residue was purified by silica gel chromatography

출처 및 근거

ORD 기록
ord-2ac408fa649f4f2f8dfe08b9f4c83e7c
출처 데이터셋
uspto-grants-2007_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07265144B2

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