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1,2-Dichloroethane → 2-[5-Bromo-4-(4-cyclopropyl-naphthalen-1-yl)-4h-[1,2,4]triazol-3-ylsulfanyl]-n-(2-chloro-4-propionylsulfamoyl-phenyl) lysinamide

HRID 551362
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HRID 551362 반응식
[Br:1][C:2]1[N:3]([C:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[C:26]([CH:33]3[CH2:35][CH2:34]3)=[CH:25][CH:24]=2)[C:4]([S:7][CH2:8][C:9]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18](=[O:21])(=[O:20])[NH2:19])=[CH:14][C:13]=2[Cl:22])=[O:10])=[N:5][N:6]=1.C(Cl)CCl.CC(OC(NC[CH2:49][CH2:50][CH2:51][C@H:52]([NH:56]C(OC(C)(C)C)=O)C(O)=O)=O)(C)C.C1CCC([NH:70]C2CCCCC2)CC1.[CH2:77]1C[O:80][CH2:79][CH2:78]1>CN(C1C=CN=CC=1)C.Cl.O1CCOCC1.C(Cl)Cl>[Br:1][C:2]1[N:3]([C:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[C:26]([CH:33]3[CH2:35][CH2:34]3)=[CH:25][CH:24]=2)[C:4]([S:7][C@@:8]([C:9]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18](=[O:21])(=[O:20])[NH:19][C:79](=[O:80])[CH2:78][CH3:77])=[CH:14][C:13]=2[Cl:22])=[O:10])([CH2:49][CH2:50][CH2:51][CH2:52][NH2:56])[NH2:70])=[N:5][N:6]=1
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참가 물질

9

반응물 4

HCID 111,2-DichloroethaneHCID 8028TetrahydrofuranHCID 115199512-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)-N-(2-chloro-4-sulfamoylphenyl)acetamideHCID 12017189N2,N6-bis(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)

생성물 1

HCID 67341461
2-[5-Bromo-4-(4-cyclopropyl-naphthalen-1-yl)-4h-[1,2,4]triazol-3-ylsulfanyl]-n-(2-chloro-4-propionylsulfamoyl-phenyl) lysinamide

시약·촉매·용매 4

HCID 142844-(Dimethylamino)pyridine촉매HCID 313Hydrochloric Acid용매HCID 6344Dichloromethane용매HCID 312751,4-Dioxane용매

실험 절차

A 25 mL round-bottomed flask was charged with 2-[5-bromo-4-(4-cyclopropyl-naphthalen-1-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (50 mg, 0.085 mmol), EDC (35 mg, 0.18 mmol), Boc-Lys(Boc)-OH DCHA (47 mg, 0.09 mmol) in the mixture of 5 mL THF and 5 mL methylene chloride. To the mixture was added DMAP (16 mg, 0.13 mmol) in one portion. The reaction mixture was stirred at RT for 14 h. The solvents were evaporated under reduced pressure yielding thick oily residue. The residue was dissolved in 5 mL 4.0 M HCl in dioxane. The reaction was stirred at RT for 14 h. The solvent was evaporated under reduced pressure yielding thick oily residue. The residue was washed successively with 10 mL methylene chloride and 10 mL ether yielding the title compound as a light yellow solid (44 mg, 65%).

후처리

  1. customThe solvents were evaporated under reduced pressure
  2. customyielding thick oily residue
  3. stirringThe reaction was stirred at RT for 14 h
  4. customThe solvent was evaporated under reduced pressure
  5. customyielding thick oily residue
  6. washThe residue was washed successively with 10 mL methylene chloride and 10 mL ether yielding the title compound as a light yellow solid (44 mg, 65%)

출처 및 근거

ORD 기록
ord-e12a086ada044e9d9d7936f42543a3dd
출처 데이터셋
uspto-grants-2011_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07947721B2

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