홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Boric Acid → 1-(6-(3-Aminophenyl)-2-benzothiazolyl)-3-ethylurea

HRID 9145
노트
인쇄 미리보기

반응식

HRID 9145 반응식
Br[C:2]1[CH:16]=[CH:15][C:5]2[N:6]=[C:7]([NH:9][C:10]([NH:12][CH2:13][CH3:14])=[O:11])[S:8][C:4]=2[CH:3]=1.[NH2:17][C:18]1[CH:19]=[C:20](OB(O)O)[CH:21]=[CH:22][CH:23]=1.C(=O)(O)[O-].[Na+].B(O)(O)O>CO.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.CN(C=O)C.O>[NH2:17][C:18]1[CH:23]=[C:22]([C:2]2[CH:16]=[CH:15][C:5]3[N:6]=[C:7]([NH:9][C:10]([NH:12][CH2:13][CH3:14])=[O:11])[S:8][C:4]=3[CH:3]=2)[CH:21]=[CH:20][CH:19]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 7628Boric AcidHCID 516892Sodium BicarbonateHCID 218958363-Aminophenylboric acidHCID 219855641-(6-Bromo-2-benzothiazolyl)-3-ethylurea

생성물 1

HCID 219855751-(6-(3-Aminophenyl)-2-benzothiazolyl)-3-ethylurea수율 23.4%

시약·촉매·용매 3

HCID 178418397
HCID 178418397, 화합물
촉매
2회
HCID 887Methanol용매
HCID 21962138N,N-Dimethylformamide--water (1/1)용매

반응 조건

온도
100 °C

실험 절차

A suspension of 1-(6-bromo-2-benzothiazolyl)-3-ethylurea (0.300 g, 1.00 mmol), 3-aminophenyl boric acid (0.237 g, 1.50 mmol, 1.5 eq), and sodium bicarbonate (0.210 g, 2.50 mmol, 2.5 eq) in 8 mL of mixed solvent DMF/water (5/1) was purged with nitrogen gas. To the mixture, the catalyst Pd(PPh3)4 (0.058 g, 0.05 mmol, 0.05 eq) was added. It was purged with nitrogen gas again, and was heated at about 100° C. in a sealed tube for about 48 hours. More Pd(PPh3)4 (0.025 g, 0.02 mmol, 0.02 eq) and more boric acid (0.080 g, 0.50 mmol, 0.50 eq) were added after the first 24 hours. The mixture was taken up in MeOH, concentrated, dissolved in methylene chloride, washed with sodium bicarbonate solution, dried (MgSO4), evaporated, and purified by flash chromatography on SiO2 with MeOH and methylene chloride (1/50) to give the desired compound 0.073 g (23%). LC/MS 313.2 (M+1); LC retention time 2.11 min.

후처리

  1. customwas purged with nitrogen gas
  2. customIt was purged with nitrogen gas again
  3. concentrationconcentrated
  4. dissolutiondissolved in methylene chloride
  5. washwashed with sodium bicarbonate solution
  6. dry with materialdried (MgSO4)
  7. customevaporated
  8. custompurified by flash chromatography on SiO2 with MeOH and methylene chloride (1/50)

출처 및 근거

ORD 기록
ord-1d4c968dd1784c18a9903db176fc40d0
출처 데이터셋
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07091227B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트