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Triethylamine → HCID 69432606, 화합물

HRID 852210
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HRID 852210 반응식
C(C1CN(CC(NC2C=CC=C([N+]([O-])=O)C=2)=O)CCN1[C:27]([O:29][CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)=[O:28])C1C=CC=CC=1.[CH2:37]([CH:44]1[CH2:49][NH:48][CH2:47][CH2:46][N:45]1[C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1.C(N(CC)CC)C.ClC(OCC1C=CC=CC=1)=O>C(Cl)Cl>[CH2:37]([CH:44]1[CH2:49][N:48]([C:27]([O:29][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[O:28])[CH2:47][CH2:46][N:45]1[C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])[C:38]1[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=1
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참가 물질

6

반응물 4

HCID 8471TriethylamineHCID 10387Benzyl chloroformate2회HCID 17961917HCID 17961917, 화합물HCID 44118663tert-Butyl 2-benzylpiperazine-1-carboxylate

생성물 1

HCID 69432606HCID 69432606, 화합물

시약·촉매·용매 1

HCID 6344Dichloromethane
용매

실험 절차

Benzyl 2-benzyl-4-{2-[(3-nitrophenyl)amino]-2-oxoethyl}piperazine-1-carboxylate. To a solution of 3.0 g (10.9 mmol) of (RS)-tert-butyl 2-benzylpiperazine-1-carboxylate in 30 mL of methylene chloride at 0° C. was added 2.3 mL (16.5 mmol) of triethylamine and 1.7 mL (11.9 mmol) of benzyl chloroformate. The resultant mixture was stirred at ambient temperature for 16 h and an additional 0.4 mL (2.8 mmol) of benzyl chloroformate was added. After stirring for a further 2 h, the reaction was partitioned between methylene chloride and water. The organic layer was washed sequentially with dilute hydrochloric acid, saturated sodium bicarbonate solution, and brine, dried over magnesium sulfate, and concentrated in vacuo to give 4-benzyl 1-tert-butyl 2-benzylpiperazine-1,4-dicarboxylate. The tert butyl carbamate was deprotected as described in Example 1, Step A to give 2.9 g of the free amine. A portion (1.5 g, 4.8 mmol), of this material was coupled with 1.6 g (7.5 mmol) of alpha-chloro-3-nitroacetanilide as described in Example 1, Step A, to give 1.3 g of the title compound as an off-white foamy solid. 1H NMR (400 MHz, CD3OD) δ 8.70 (s, 1H), 7.99 (d, 1H, J=8 Hz), 7.96 (d, 1H, J=8 Hz), 5.58 (t, 1H, J=8 Hz), 7.36–7.05 (m, 10H), 5.00 (bs, 2H), 4.38–4.31 (m, 1H), 3.99 (d, 1H, J=16 Hz), 3.48 (td, 1H, J=16,2 Hz), 3.22–2.95 (m, 5H), 2.80 (d, 1H, J=14 Hz), 2.33–2.20 (m, 2H).

후처리

  1. customthe reaction was partitioned between methylene chloride and water
  2. washThe organic layer was washed sequentially with dilute hydrochloric acid, saturated sodium bicarbonate solution, and brine
  3. dry with materialdried over magnesium sulfate
  4. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-82846a3e896d4b4494fe26e34a6de149
출처 데이터셋
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07253172B2

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