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Oxalyl chloride → 4-Acetyl-2-methylbenzoyl chloride

HRID 1027605
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HRID 1027605 반응식
[C:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8](O)=[O:9])=[C:6]([CH3:13])[CH:5]=1)(=[O:3])[CH3:2].C(Cl)(=O)C([Cl:17])=O>ClCCl.CN(C)C=O>[C:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8]([Cl:17])=[O:9])=[C:6]([CH3:13])[CH:5]=1)(=[O:3])[CH3:2]
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참가 물질

5

반응물 2

HCID 65578Oxalyl chlorideHCID 534355544-Acetyl-2-methylbenzoic acid

생성물 1

HCID 873234424-Acetyl-2-methylbenzoyl chloride

시약·촉매·용매 2

HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매

실험 절차

To a suspension of 4-acetyl-2-methyl-benzoic acid (1 g, prepared as described in WO2009001942) in dichloromethane (200 ml) and dimethylformamide (0.2 ml) under argon atmosphere at room temperature, was added dropwise oxalyl chloride (0.53 ml) then the resulting mixture was stirred 1 hour at room temperature until the solid was dissolved. The solvent was removed in vacuo to afford crude 4-acetyl-2-methyl-benzoic acid chloride. To a solution of (R)-4-amino-2-ethyl-isoxazolidin-3-one (1.64 g, Example 4, Step B) in dry dichloromethane (10 ml) was added dropwise at room temperature triethylamine (5 ml). The solution of acid chloride in dichloromethane (5 ml) was added dropwise at room temperature. The resulting mixture was allowed to stir 4 hours at room temperature, then quenched with water. The organic phase was washed with 1N aqueous hydrochloric acid solution. The organic layer was dried over sodium sulphate and the solvent was removed under reduced pressure to afford a residue, which was purified by crystallization from diethyl ether to give a beige solid (1 g). LCMS (Method A) 1.23 min, (M+H)+ 291. Chiral HPLC (method H) 30.18 min (98.99%), 33.62 min (1.01%). 1HNMR (CDCl3, 400 MHz): 1.20 (t, 3H), 2.50 (s, 3H), 2.60 (s, 3H), 3.65 (m, 2H), 4.05 (m, 1H), 4.85 (m, 1H), 5.0 (t, 1H), 6.45 (bs, 1H), 7.50 (d, 1H), 7.70-7.90 (m, 2H).

후처리

  1. dissolutionwas dissolved
  2. customThe solvent was removed in vacuo

출처 및 근거

ORD 기록
ord-e42d5a0b70134f948210f71d86215beb
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08735362B2

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