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5-Methylhexanoic acid → 5-Methylhexanoyl chloride

HRID 22302
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HRID 22302 반응식
[CH3:1][CH:2]([CH3:9])[CH2:3][CH2:4][CH2:5][C:6](O)=[O:7].C(Cl)(=O)C([Cl:13])=O>ClCCl>[CH3:1][CH:2]([CH3:9])[CH2:3][CH2:4][CH2:5][C:6]([Cl:13])=[O:7]
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참가 물질

4

반응물 2

HCID 123445-Methylhexanoic acidHCID 65578Oxalyl chloride

생성물 1

HCID 136648655-Methylhexanoyl chloride

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of 5-methylhexanoic acid (0.53 g, 4 mmole) in dichloromethane was added oxalyl chloride (0.77 g, 6 mmole). The reaction mixture was stirred at room temperature for 2 hours and then evaporated under vacuum to give crude 5-methylhexanoyl chloride. To a solution of 4,4-bis(trifluoromethyl)-2-(4-fluorophenyl)-4,5-dihydro-5-amine-N,N-1,5-dimethyl-1H-imidazole (0.60 g, 1.76 mmole) in dichloromethane (15 mL) was added 5-methylhexanoyl chloride and pyridine (0.42 g, 5 mmole). The reaction mixture was stirred overnight at room temperature under nitrogen. The crude reaction mixture was quenched with water and extracted with ether. The organic layer was washed successively with water, sodium hydroxide (1N) and saturated sodium chloride solution, dried over anhydrous magnesium sulfate and concentrated under vacuum. The residue was purified by flash chromatography eluting with hexane and hexane-ethyl acetate (20:1 to 50:50). The crude product (0.42 g, 85%) was treated with HCl in ether and recrystallized from dichloromethane-methanol-petroleum ether to give the title compound as a white solid: mp 112°-114°; MS m/e 456 (M+ +H); 1H NMR (CDCl3 /TMS) δ 0.90(s,3H,CH3), 0.93(s,3H,CH3), 1.27(m,2H,CH2), 1.67(m,3H,CH2CH), 2.47(m,2H,CH2), 3.00(s,3H,NCH3), 3.23(s,3H,NCH3), 7.03(s,1H,CH), 7.33(m,2H,Harom), 8.00(m,2H,Harom).

후처리

  1. customevaporated under vacuum

출처 및 근거

ORD 기록
ord-5cfa4a1cbf784bddba63b6ab251dd820
출처 데이터셋
uspto-grants-1995_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05428041

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