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Hexane → HCID 44243040, 화합물

HRID 1013091
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HRID 1013091 반응식
CCCCCC.[CH2:7]([N:9]([Al](C)C)[CH2:10][CH3:11])[CH3:8].[CH2:15]([NH:17][C:18](=[O:49])[NH:19][C:20]1[S:24][C:23]2[CH:25]=[CH:26][CH:27]=[CH:28][C:22]=2[C:21]=1[C:29]([N:31]1[CH2:48][CH2:47][C:34]2([N:38]=[C:37]([CH2:39][CH2:40][C:41]([O:43]CC)=O)[NH:36][C:35]2=[O:46])[CH2:33][CH2:32]1)=[O:30])[CH3:16]>C1C=CC=CC=1.C1COCC1>[CH2:7]([N:9]([CH2:10][CH3:11])[C:41](=[O:43])[CH2:40][CH2:39][C:37]1[NH:36][C:35](=[O:46])[C:34]2([CH2:33][CH2:32][N:31]([C:29]([C:21]3[C:22]4[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=4[S:24][C:20]=3[NH:19][C:18]([NH:17][CH2:15][CH3:16])=[O:49])=[O:30])[CH2:48][CH2:47]2)[N:38]=1)[CH3:8]
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참가 물질

6

반응물 3

HCID 8058HexaneHCID 16708834HCID 16708834, 화합물HCID 44243038HCID 44243038, 화합물

생성물 1

HCID 44243040HCID 44243040, 화합물수율 20%

시약·촉매·용매 2

HCID 241Benzene용매HCID 8028Tetrahydrofuran용매

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온도
80 °C

실험 절차

To a 2.0 M hexane solution of (diethylamino)dimethylaluminum (3.2 equivalents) in dry benzene (0.26 M) was cooled to −15° C., a solution of ethyl 3-(8-(2-(3-ethylureido)benzo[b]thiophene-3-carbonyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)propanoate (10 (Example 10), 12 mg, 1.0 equivalent) in THF (0.16M) was added; the mixture was heated to 80° C. for 6 hrs. The mixture was cooled in an ice bath; then a saturated aqueous Rochelle's solution was added and stirred for 1 hr, then partitioned between ethyl acetate and water and the separated organics was washed with brine and dried over Na2SO4, filtered, and concentrated under reduced pressure. The residue was purified by preparatory LCMS to afford N,N-diethyl-3-(8-(2-(3-ethylureido)benzo[b]thiophene-3-carbonyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)propanamide (10, 20%). Two rotamers observed (ratio 1.3:1).

후처리

  1. temperatureThe mixture was cooled in an ice bath
  2. additionthen a saturated aqueous Rochelle's solution was added
  3. custompartitioned between ethyl acetate and water
  4. washthe separated organics was washed with brine
  5. dry with materialdried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. customThe residue was purified by preparatory LCMS

출처 및 근거

ORD 기록
ord-1d3b65ccb6564805a438ed9d193f40e5
출처 데이터셋
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07981904B2

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