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Sodium Carbonate → HCID 59583401, 화합물

HRID 2170526
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HRID 2170526 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:13]([CH3:14])=[C:12]([C:15]([OH:17])=[O:16])[N:11]=[N:10]2)=[CH:4][CH:3]=1.[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1B(O)O.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:13]([CH3:14])=[C:12]([C:15]([OH:17])=[O:16])[N:11]=[N:10]2)=[CH:4][CH:3]=1
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참가 물질

6

반응물 3

HCID 10340Sodium CarbonateHCID 27343222-Chlorophenylboronic acidHCID 27948281-[(4-Bromophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

생성물 1

HCID 59583401HCID 59583401, 화합물수율 53.3%

시약·촉매·용매 2

HCID 178418397HCID 178418397, 화합물촉매
HCID 8071
1,2-Dimethoxyethane
용매

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온도
85 °C

실험 절차

To a solution of 1-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (0.2 g, 0.67 mmol) in DME (10 mL) were added (2-chlorophenyl)boronic acid, (0.137 g, 0.88 mmol), Pd tetrakis (20 mg, 10% mol/mol) and a 2M solution of sodium carbonate (1.34 mL, 4 eq). The reaction was heated at 85° C. for 48 hours. After evaporation of DME, water was added and the reaction was extracted with ethyl acetate (2×40 mL). The aqueous phase was adjusted to PH=7 by addition of a 1N HCl solution and extracted with ethyl acetate. The combined organic phases were dried over sodium sulphate and evaporated in vacuo to give the title compound as a solid (117 mg, 40%). HRMS calculated for C17H14ClN3O2(M+H)+328.0853. found: 328.0865, Rt: 2.04 min.

후처리

  1. customAfter evaporation of DME, water
  2. additionwas added
  3. extractionthe reaction was extracted with ethyl acetate (2×40 mL)
  4. additionby addition of a 1N HCl solution
  5. extractionextracted with ethyl acetate
  6. dry with materialThe combined organic phases were dried over sodium sulphate
  7. customevaporated in vacuo

출처 및 근거

ORD 기록
ord-ffac4b9241254689b09d4e71833884cf
출처 데이터셋
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09051281B2

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