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Tributylamine → 1,1-Dimethylethyl N-[2-[[[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbonyl]amino]ethyl]carbamate

HRID 443320
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HRID 443320 반응식
[CH2:1]([N:3]([CH2:18][CH3:19])[C:4]1[CH:13]=[C:12]2[C:7]([CH:8]=[C:9]([C:15]([OH:17])=O)[C:10](=[O:14])[O:11]2)=[CH:6][CH:5]=1)[CH3:2].C(N(CCCC)CCCC)CCC.ClC(OCC(C)C)=O.[NH2:41][CH2:42][CH2:43][NH:44][C:45](=[O:51])[O:46][C:47]([CH3:50])([CH3:49])[CH3:48]>CN(C=O)C.CCOC(C)=O>[C:47]([O:46][C:45]([NH:44][CH2:43][CH2:42][NH:41][C:15]([C:9]1[C:10](=[O:14])[O:11][C:12]2[C:7]([CH:8]=1)=[CH:6][CH:5]=[C:4]([N:3]([CH2:1][CH3:2])[CH2:18][CH3:19])[CH:13]=2)=[O:17])=[O:51])([CH3:50])([CH3:49])[CH3:48]
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참가 물질

7

반응물 4

HCID 7622TributylamineHCID 62365Isobutyl chloroformateHCID 187201N-BOC-ethylenediamineHCID 6592947-Diethylaminocoumarin-3-carboxylic acid

생성물 1

HCID 100241141,1-Dimethylethyl N-[2-[[[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbonyl]amino]ethyl]carbamate수율 45%

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
2회
HCID 8857Ethyl Acetate용매

실험 절차

--A solution of 7-diethylaminocoumarin-3-carboxylic acid 2 (1.15 g, 5 mmol) and tri-n-butylamine (1.38 g, 7.5 mmol) in dry DMF (50 ml) was cooled in an ice bath and treated with isobutyl chloroformate (0.715 g, 5.2 mmol). The solution was stirred in the ice bath for 0.5 h, then a solution of the amine 3 (0.8 g, 5 mmol) in dry DMF (5 ml) was added. The mixture was allowed to warm to room temp. and kept for 3 h, then diluted with EtOAc and washed thoroughly with water, dilute aq. HCl, aq. NaHCO3 and water, dried and evaporated. The residue gave a yellow solid after trituration with a little ether. A portion (400 mg) was purified by flash chromatography to give the amide 4 as yellow prisms (0.345 g), m.p. 157-158° C. after crystallisation from EtOAc-light petroleum The remaining material crystallised without chromatography to give a further portion of the product (0.55 g, total yield 45%) (Found. C, 62.6;. H, 7.3; N, 10.4. C21H29N3O5 requires C, 62.5; H, 7.2; N, 10.4%); δH 8.95 (1 H, t, J 5.5, NH), 8.68 (1 H, s, 4-H), 7.42 (1 H, d, Jortho 8.8, 5-H) , 6.64 (1 H, dd, Jmeta 2.3, 6-H), 6.49 (1 H, d, 8-H), 5.08 (1 H, br S, NH), 3.23-3.64 (8 H, m, 4×CH2), 1.44 (9 H, S, CMe3) and 1.24 (6 H, t, J7, 2×Me).

후처리

  1. temperatureto warm to room temp.
  2. washwashed thoroughly with water, dilute aq. HCl, aq. NaHCO3 and water
  3. customdried
  4. customevaporated
  5. customThe residue gave a yellow solid after trituration with a little ether
  6. customA portion (400 mg) was purified by flash chromatography

출처 및 근거

ORD 기록
ord-c77e396022494d63a257bddbcb7a9f37
출처 데이터셋
uspto-grants-1999_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05898069

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