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1,2-Dichloroethane → HCID 57991961, 화합물

HRID 2075345
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HRID 2075345 반응식
[CH:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]3[S:15][C:14]([NH2:16])=[N:13][N:12]=3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1.C1C2C(=CC(C(O)=O)=CC=2)C=CN=1.ClC1C=NC=C2SC(C(O)=O)=CC=12.[C:43]([O:47][C:48]([N:50]1[CH2:54][CH2:53][C@H:52]([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)[C@@H:51]1[C:61](O)=[O:62])=[O:49])([CH3:46])([CH3:45])[CH3:44].C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.[NH4+].[Cl-]>CN(C=O)C.C(Cl)Cl.O>[CH:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]3[S:15][C:14]([NH:16][C:61]([C@H:51]4[C@@H:52]([C:55]5[CH:56]=[CH:57][CH:58]=[CH:59][CH:60]=5)[CH2:53][CH2:54][N:50]4[C:48]([O:47][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:49])=[O:62])=[N:13][N:12]=3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

12

반응물 8

HCID 111,2-DichloroethaneHCID 25517Ammonium ChlorideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 185161084-Chlorothieno[2,3-c]pyridine-2-carboxylic acidHCID 22128831Isoquinoline-6-carboxylic acid
HCID 57032840
(2R,3R)-rel-1-(tert-Butoxycarbonyl)-3-phenylpyrrolidine-2-carboxylic acid
HCID 596944465-(Isoquinolin-6-yl)-1,3,4-thiadiazol-2-amine

생성물 1

HCID 57991961HCID 57991961, 화합물수율 30.4%

시약·촉매·용매 3

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매

실험 절차

To a stirred mixture of 5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-amine (97 mg, 0.42 mmol) (prepared as shown in Scheme 5 using isoquinoline-6-carboxylic acid, commercially available from AstaTech Product List (Order Number 62874), instead of 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid) and (±)-cis-1-(tert-butoxycarbonyl)-3-phenylpyrrolidine-2-carboxylic acid ((Damour et al. Synlett 1999, 2, 189-192), 149 mg, 0.51 mmol) in DMF (5.0 mL) was added EDC (122 mg, 0.64 mmol), HOBt (86 mg, 0.64 mmol) and DIEA (0.22 mL, 1.3 mmol). The mixture was stirred at room temperature for 24 hours. Aqueous NH4Cl (5 mL), water (5 mL) and DCM (10 mL) were added. The aqueous layer was extracted with DCM (3×10 mL). The combined organic layers were washed with brine, dried over Na2SO4, and concentrated. The crude residue was purified by flash column chromatography (eluting with a gradient from DCM to 5% MeOH in DCM) to provide (±)-cis-tert-butyl 2-((5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl)carbamoyl)-3-phenylpyrrolidine-1-carboxylate as a white foam (64 mg, 30%). LCMS (M+H) 502.2 calc. for C27H28N5O3S 502.2.

후처리

  1. customprepared
  2. extractionThe aqueous layer was extracted with DCM (3×10 mL)
  3. washThe combined organic layers were washed with brine
  4. dry with materialdried over Na2SO4
  5. concentrationconcentrated
  6. customThe crude residue was purified by flash column chromatography (
  7. washeluting with a gradient from DCM to 5% MeOH in DCM)

출처 및 근거

ORD 기록
ord-b9a2bb96e3714317bc2e0c9584bf3765
출처 데이터셋
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07919504B2

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