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Pyridine → HCID 59015863, 화합물

HRID 968837
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HRID 968837 반응식
[CH2:1]([O:3][C:4]([C:6]([CH3:21])([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH2:17][C:18]([OH:20])=O)=[CH:11][CH:10]=1)[CH3:7])=[O:5])[CH3:2].C(Cl)(=O)C(Cl)=O.CS(O)(=O)=O.[F:33][C:34]1[CH:35]=[C:36]([CH2:41][N:42]([C:44]([NH2:46])=[O:45])[NH2:43])[CH:37]=[C:38]([F:40])[CH:39]=1.N1C=CC=CC=1>C(OCC)(=O)C.CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]([CH3:7])([O:8][C:9]1[CH:10]=[CH:11][C:12]([CH2:15][CH2:16][CH2:17][C:18]([NH:43][N:42]([CH2:41][C:36]2[CH:37]=[C:38]([F:40])[CH:39]=[C:34]([F:33])[CH:35]=2)[C:44]([NH2:46])=[O:45])=[O:20])=[CH:13][CH:14]=1)[CH3:21])=[O:5])[CH3:2]
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참가 물질

7

반응물 4

HCID 1049PyridineHCID 65578Oxalyl chlorideHCID 23584129HCID 23584129, 화합물HCID 86628487HCID 86628487, 화합물

생성물 1

HCID 59015863HCID 59015863, 화합물수율 70%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매
HCID 8857
Ethyl Acetate
용매
4회

실험 절차

To 4-[4-(1Ethoxycarbonyl-1-methylethoxy)phenyl]butyric acid (1.0072 g, 3.42 mmol) in ethyl acetate (10 mL) at rt was added DMF (1 pipette drop), followed by oxalyl chloride (0.728 g, 5.73 mmol) dropwise over 5 min. The resulting solution was stirred for 30 min at rt, then concentrated to an oil. The oil was twice reconstituted into toluene (20 mL) and concentrated to an oil, then dissolved in ethyl acetate (3 mL). 1-(3,5-Difluorophenylmethyl)hydrazine carboxamide methanesulfonate (1.025 g, 3.45 mmol) was suspended in ethyl acetate (10 mL) at 0° C., and pyridine (0.65 mL, 636 mg, 8.04 mmol) was added. The solution of acid chloride in ethyl acetate was then added dropwise over 15 min, and the resulting mixture stirred for 30 min at 0° C. The mixture was then diluted with ethyl acetate and washed with 1 N HCl (2×) followed by sat'd aq. NaCl. It was then dried (MgSO4), filtered and concentrated to an oil, which was chromatographed on silica gel (ethyl acetate) to afford the title compound as a solid (1.1436 g, 70%): mp 108.1-109.4° C.; 1H NMR (DMSO-d6, 60° C.) δ 9.73 (s, 1 H), 7.00 (m, 5 H), 6.70 (d, 2 H, J=6.5 Hz), 6.03 (s, 2 H), 4.54 (br s, 2 H), 4.15 (q, 2 H, J=7 Hz), 2.45 (m, 2 H), 2.09 (m, 2 H), 1.74 (m, 2 H), 1.48 (s, 6 H), 1.17 (t, 3 H, J=7 Hz); 13C NMR (DMSO-d6) δ 174.0, 172.0, 162.5 (dd, J=244, 13 Hz), 159.2, 153.8, 144.1, 135.8, 129.7, 119.4, 111.3 (d, J=25 Hz), 102.8 (t, J=26 Hz), 79.2, 51.1, 47.3, 34.3, 33.1, 27.0, 25.7, 14.6; IR (KBr) 3456, 3324, 1726, 1643, 1509, 1445 cm−1; Anal. Calcd. for C24H29N3O5F2: C, 60.37; H, 6.12; N, 8.80; F, 7.96. Found: C, 60.48; H, 6.28; N, 8.67; F, 7.75.

후처리

  1. concentrationconcentrated to an oil
  2. concentrationconcentrated to an oil
  3. dissolutiondissolved in ethyl acetate (3 mL)
  4. stirringthe resulting mixture stirred for 30 min at 0° C
  5. washwashed with 1 N HCl (2×)
  6. dry with materialIt was then dried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated to an oil, which
  9. customwas chromatographed on silica gel (ethyl acetate)

출처 및 근거

ORD 기록
ord-0f966153983247e29bc27103cd3e22e9
출처 데이터셋
uspto-grants-2007_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07304062B2

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