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Nicotinic Acid → HCID 11442085, 화합물

HRID 1986358
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인쇄 미리보기

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HRID 1986358 반응식
[C:1]([OH:9])(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[N:4][CH:3]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[NH2:31][C:32]1[CH:33]=[C:34]([O:38][C:39]2[N:44]=[CH:43][C:42]3[N:45]=[C:46]([C:50]4[C:51]([NH2:55])=[N:52][O:53][N:54]=4)[N:47]([CH2:48][CH3:49])[C:41]=3[CH:40]=2)[CH:35]=[CH:36][CH:37]=1>CN(C=O)C.O.CCOC(C)=O>[NH2:55][C:51]1[C:50]([C:46]2[N:47]([CH2:48][CH3:49])[C:41]3[CH:40]=[C:39]([O:38][C:34]4[CH:33]=[C:32]([NH:31][C:1]([C:2]5[CH:3]=[N:4][CH:5]=[CH:6][CH:7]=5)=[O:9])[CH:37]=[CH:36][CH:35]=4)[N:44]=[CH:43][C:42]=3[N:45]=2)=[N:54][O:53][N:52]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 938Nicotinic AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide2회HCID 757711-HydroxybenzotriazoleHCID 11404963HCID 11404963, 화합물

생성물 1

HCID 11442085HCID 11442085, 화합물수율 57%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 6228Dimethylformamide용매
HCID 8857Ethyl Acetate용매

실험 절차

To a room temperature suspension of 0.036 g of nicotinic acid (0.30 mmols) and 0.061 g of EDCI (0.32 mmols) in dry DMF (2.0 mL) was added 0.043 g of HOBt (0.32 mmols). After stirring for 10 min., 0.10 g of the product of Example 3 (0.3 mmols) was added to the reaction mixture. After stirring for 1 h, the reaction was treated with an additional 0.061 g of EDCI (0.32 mmols). The mixture was allowed to stir for 27 h at rt. The reaction mixture was diluted with 2 mL of water and 10 mL of EtOAc. The layers were separated, and the organic layer was washed with water. The organics were dried over MgSO4, filtered, and concentrated. The yellow residue was washed with methanol to yield an off-white solid (73 mg, 57%). MS (ES+) m/e 444 [M+H]+.

후처리

  1. stirringAfter stirring for 1 h
  2. stirringto stir for 27 h at rt
  3. customThe layers were separated
  4. washthe organic layer was washed with water
  5. dry with materialThe organics were dried over MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated
  8. washThe yellow residue was washed with methanol

출처 및 근거

ORD 기록
ord-4c9a21a39c0a419797fb2faee67f38ad
출처 데이터셋
uspto-grants-2009_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07547779B2

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