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Potassium Phosphate, Tribasic → HCID 70977671, 화합물

HRID 2281070
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HRID 2281070 반응식
FC(F)(F)S(O[C:7]1[CH:19]=[CH:18][C:10]2[N:11]([CH2:14][CH:15]3[CH2:17][CH2:16]3)[N:12]=[N:13][C:9]=2[C:8]=1[Cl:20])(=O)=O.[OH:23][CH2:24][C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C(=O)(O)[O-].[Na+]>O1CCOCC1.O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Pd]>[Cl:20][C:8]1[C:9]2[N:13]=[N:12][N:11]([CH2:14][CH:15]3[CH2:17][CH2:16]3)[C:10]=2[CH:18]=[CH:19][C:7]=1[C:28]1[CH:29]=[CH:30][C:25]([CH2:24][OH:23])=[CH:26][CH:27]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 62657Potassium Phosphate, TribasicHCID 516892Sodium BicarbonateHCID 27347064-(Hydroxymethyl)benzeneboronic acidHCID 867119854-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate

생성물 1

HCID 70977671HCID 70977671, 화합물

시약·촉매·용매 3

HCID 11979704
Tetrakis(triphenylphosphine)palladium
촉매
HCID 962Water용매
HCID 312751,4-Dioxane용매

실험 절차

4-Chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate (1.1 g, 3.1 mmol) was dissolved in a mixture of 1,4-dioxane and water (15 mL:3.0 mL) and treated with [4-(hydroxymethyl)phenyl]boronic acid (0.70 g, 4.6 mmol), potassium phosphate (2.0 g, 9.2 mmol) and palladium(0) tetrakis(triphenylphosphine) (0.18 g, 0.15 mmol). The mixture was placed into a preheated oil bath at 90° C. for 1 hour. The mixture was cooled to ambient temperature, poured into sodium bicarbonate (150 mL, aqueous saturated) and extracted with ethyl acetate (2×250 mL). The combined organic extracts were dried with sodium sulfate, filtered and concentrated in vacuo. The residue was purified by silica gel chromatography (100:0 to 0:100; hexane:ethyl acetate) to afford the titled compound.

후처리

  1. extractionextracted with ethyl acetate (2×250 mL)
  2. dry with materialThe combined organic extracts were dried with sodium sulfate
  3. filtrationfiltered
  4. concentrationconcentrated in vacuo
  5. customThe residue was purified by silica gel chromatography (100:0 to 0:100; hexane:ethyl acetate)

출처 및 근거

ORD 기록
ord-30252485510b40fcb01047d331da7d99
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09139576B2

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