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Dicyclohexylcarbodiimide → N-[[1-(Dimethylamino)cyclopentyl](phenyl)methyl]-2,3-dimethyl benzamide

HRID 20830
ノート
印刷プレビュー

反応式

HRID 20830 の反応式
[NH2:1][CH:2]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:3]1([N:8]([CH3:10])[CH3:9])[CH2:7][CH2:6][CH2:5][CH2:4]1.ClC1C(C(F)(F)F)=CC=CC=1C(NC(C1(N(C)C)CCCC1)C1C=CC=CC=1)=O.[CH3:46][C:47]1[C:55]([CH3:56])=[CH:54][CH:53]=[CH:52][C:48]=1[C:49](O)=[O:50].O.ON1C2C=CC=CC=2N=N1.C1CCC(N=C=NC2CCCCC2)CC1>C(Cl)Cl>[CH3:9][N:8]([CH3:10])[C:3]1([CH:2]([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[NH:1][C:49](=[O:50])[C:48]2[CH:52]=[CH:53][CH:54]=[C:55]([CH3:56])[C:47]=2[CH3:46])[CH2:7][CH2:6][CH2:5][CH2:4]1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 10868DicyclohexylcarbodiimideHCID 117822,3-Dimethylbenzoic acidHCID 27960291-Hydroxybenzotriazole hydrateHCID 11521393{1-[Amino(phenyl)methyl]cyclopentyl}dimethylamineHCID 116115852-Chloro-N-[[1-(dimethylamino)cyclopentyl](phenyl)methyl]-3-(trifluoromethyl)benzamide

生成物 1

HCID 11523159
N-[[1-(Dimethylamino)cyclopentyl](phenyl)methyl]-2,3-dimethyl benzamide
収率 86%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

A mixture of {1-[amino(phenyl)methyl]cyclopentyl}dimethylamine D3 enantiomer 2 (0.102 g, 0.47 mmol), 2,3-dimethylbenzoic acid (0.100 g, 0.67 mmol), 1-hydroxybenzotriazole hydrate (0.092 g, 0.6 mmol) and PS-DCC (0.63 g of 1.3 mmol/g loading, 0.82 mmol) in DCM (7 ml) was shaken for 20 h. The mixture was filtered and the resin washed with DCM (2×4 ml). Combined organics were washed with saturated sodium hydrogen carbonate (20 ml), the layers separated and the organic layer applied to a 2 g SCX cartridge. The cartridge was washed with DCM (2 volumes), 50% methanol in DCM (1 volume) and methanol (2 volumes). Elution with 1M ammonia in methanol (2 volumes) and evaporation of the solvent afforded a colourless gum. Chromatography on silica gel (10 g) eluting with 0-100% ethyl acetate in pentane gradient afforded the title compound as a colourless solid (0.14 g; 86%). 1H NMR (CDCl3) δ: 0.90-1.15 (1H, m), 1.20-1.38 (1H, m), 1.40-1.55 (2H, m), 1.60-1.75 (2H, m), 1.79-1.90 (2H, m), 2.22 (6H, s), 2.28 (6H, s), 5.15 (1H, d, J=6 Hz), 6.98 (1H, d, J=6 Hz), 7.10-7.15 (1H, m), 7.19-7.27 (3H, m), 7.29-7.35 (2H, m), 7.39-7.43 (2H, m). Mass spectrum (Electrospray LC/MS), ES+: Found 351 (MH+). C23H30N2O requires 350. Ret. time 1.90 min. The title product was converted to the corresponding hydrochloride salt (0.150 g).

後処理

  1. filtrationThe mixture was filtered
  2. washthe resin washed with DCM (2×4 ml)
  3. washCombined organics were washed with saturated sodium hydrogen carbonate (20 ml)
  4. customthe layers separated
  5. washThe cartridge was washed with DCM (2 volumes), 50% methanol in DCM (1 volume) and methanol (2 volumes)
  6. washElution
  7. customwith 1M ammonia in methanol (2 volumes) and evaporation of the solvent
  8. customafforded a colourless gum
  9. washChromatography on silica gel (10 g) eluting with 0-100% ethyl acetate in pentane gradient

出典と根拠

ORDレコード
ord-2a827efff7e9408287c544a8c6786163
出典データセット
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07745642B2

反応ノート

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