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Hydrochloric Acid → 2-[4-Chloro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HRID 1912295
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HRID 1912295 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[C:4]([CH:9]([F:11])[CH3:10])[CH:3]=1.C([Li])CCC.C(O[B:21]1[O:25][C:24]([CH3:27])([CH3:26])[C:23]([CH3:29])([CH3:28])[O:22]1)(C)C.Cl>C(OCC)C.O>[Cl:8][C:5]1[CH:6]=[CH:7][C:2]([B:21]2[O:25][C:24]([CH3:27])([CH3:26])[C:23]([CH3:29])([CH3:28])[O:22]2)=[CH:3][C:4]=1[CH:9]([F:11])[CH3:10]
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참가 물질

7

반응물 4

HCID 313Hydrochloric AcidHCID 50177412-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 591269474-Bromo-1-chloro-2-(1-fluoroethyl)benzeneHCID 178418339Butyllithium

생성물 1

HCID 591269382-[4-Chloro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane수율 50.7%

시약·촉매·용매 2

HCID 962
Water
용매
HCID 3283Diethyl Ether용매2회

실험 절차

4-Bromo-1-chloro-2-(1-fluoroethyl)benzene (2.55 g, 10.74 mmol) was dissolved in dry diethyl ether (50 mL) and cooled to −75° C. n-Butyllithium (4.72 mL, 11.81 mmol) was added dropwise keeping the temperature below −70° C. The reaction mixture was then stirred for 15 min, then 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (2.197 g, 11.81 mmol) was added and the reaction mixture was allowed to warm to room temperature. The reaction mixture was then diluted with water and diethyl ether. The aqueous phase was acidified with 12N HCl and the product was then extracted with diethyl ether. The organic phase was dried and concentrated under vacuum to yield the title compound (1.55 g, 5.45 mmol, 50.7% yield) as a white solid: 1H NMR (CDCl3): δ 7.94 (d, 1H), 7.65 (m, 1H), 7.36 (m, 1H), 5.96 (dq, 1H), 1.64 (dd, 3H), 1.34 (s, 12H).

후처리

  1. additionwas added dropwise
  2. customthe temperature below −70° C
  3. extractionthe product was then extracted with diethyl ether
  4. customThe organic phase was dried
  5. concentrationconcentrated under vacuum

출처 및 근거

ORD 기록
ord-60f58e9a7884468a8a4259712a0677d5
출처 데이터셋
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08609592B2

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