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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 44242067, 화합물

HRID 1446055
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HRID 1446055 반응식
[F:1][C:2]1[CH:3]=[C:4]([N:38]2[CH2:42][C@H:41]([CH2:43][NH:44][C:45](=[O:47])[CH3:46])[O:40][C:39]2=[O:48])[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:37])[CH2:15][O:16][C:17]2[CH:22]=[CH:21][C:20]([CH2:23][O:24][CH:25]3[CH2:30][O:29][C:28]4=[N:31][C:32]([N+:34]([O-:36])=[O:35])=[CH:33][N:27]4[CH2:26]3)=[CH:19][CH:18]=2)[CH2:10][CH2:9]1.C(OC(=O)COC1C=CC(CO[C@@H]2COC3=NC([N+]([O-])=O)=CN3C2)=CC=1)(C)(C)C.FC1C=C(N2CC(CNC(=O)C)OC2=O)C=CC=1N1CCNCC1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.CCN(C(C)C)C(C)C>C(O)(C(F)(F)F)=O.C(Cl)Cl.C(Cl)Cl>[F:1][C:2]1[CH:3]=[C:4]([N:38]2[CH2:42][C@H:41]([CH2:43][NH:44][C:45](=[O:47])[CH3:46])[O:40][C:39]2=[O:48])[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:37])[CH2:15][O:16][C:17]2[CH:18]=[CH:19][C:20]([CH2:23][O:24][C@@H:25]3[CH2:30][O:29][C:28]4=[N:31][C:32]([N+:34]([O-:36])=[O:35])=[CH:33][N:27]4[CH2:26]3)=[CH:21][CH:22]=2)[CH2:12][CH2:13]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 6

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 18939356N-[[3-(3-Fluoro-4-(piperazin-1-YL)phenyl)-2-oxooxazolidin-5-YL]methyl]acetamideHCID 68545750HCID 68545750, 화합물HCID 68549864HCID 68549864, 화합물

생성물

1
HCID 44242067HCID 44242067, 화합물수율 4%

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 21863450Trifluoroacetic acid methylene chloride용매

실험 절차

(S)—N-{3-[3-Fluoro-4-(4-{2-[4-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yloxymethyl)-phenoxy]-acetyl}-piperazin-1-yl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide. A solution of [4-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6(S)-yloxylmethyl)-phenoxy]-acetic acid tert-butyl ester (100 mg, 0.25 mmol) in TFA/CH2Cl2 (2 mL) was stirred at room temperature for 2 h. The resultant mixture was concentrated in vacuo, and diluted with DCM, to the solution was added N-[3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide (50 mg, 0.15 mmol) (prepared by following the procedure disclosed by U.S. Pat. No. 5,547,950 or Brickner 1996), HOBt (21.6 mg, 0.16 mmol), EDCI (30.7 mg, 0.16 mmol) and DIPEA (0.20 ml). The mixture was stirred at room temperature for 24 hours diluted with DCM, washed with sat. NaHCO3, 1 N HCl and sat. NaHCO3, dried over sodium sulfate, and concentrated in vacuo. The crude product was purified by preparative TLC plates (5% MeOH in dichloromethane) to give the title product as a solid (6.0 mg, 4%). ESI MS m/z 668.4 (M+H+).

후처리

  1. concentrationThe resultant mixture was concentrated in vacuo
  2. additiondiluted with DCM, to the solution
  3. customprepared
  4. washwashed with sat. NaHCO3, 1 N HCl and sat. NaHCO3
  5. dry with materialdried over sodium sulfate
  6. concentrationconcentrated in vacuo
  7. customThe crude product was purified by preparative TLC plates (5% MeOH in dichloromethane)

출처 및 근거

ORD 기록
ord-ecea4fecde974d2aa381629b03466048
출처 데이터셋
uspto-grants-2010_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07666864B2

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