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llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0

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反応

Cyclopropylamine → (+/-) N-Cyclopropyl-4-methyl-3-(1-(1,1,1-trifluoropropan-2-yl)phthalazin-6-yl)benzamide

HRID 422560

印刷プレビュー

反応式

HRID 422560 の反応式

[CH3:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[C:11]1[CH:12]=[C:13]2[C:18](=[CH:19][CH:20]=1)[C:17]([CH:21]([CH3:26])[C:22]([F:25])([F:24])[F:23])=[N:16][N:15]=[CH:14]2.CN(C(ON1N=NC2[CH:38]=[CH:39][CH:40]=[N:41]C1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C1(N)CC1>CN(C)C=O>[CH:40]1([NH:41][C:6](=[O:8])[C:5]2[CH:9]=[CH:10][C:2]([CH3:1])=[C:3]([C:11]3[CH:12]=[C:13]4[C:18](=[CH:19][CH:20]=3)[C:17]([CH:21]([CH3:26])[C:22]([F:23])([F:24])[F:25])=[N:16][N:15]=[CH:14]4)[CH:4]=2)[CH2:38][CH2:39]1

参加物実験手順出典と根拠反応ノート

参加物

5

反応物 3

HCID 69828Cyclopropylamine

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

HCID 666754614-Methyl-3-(1-(1,1,1-trifluoropropan-2-yl)phthalazin-6-yl)benzoic acid

生成物 1

HCID 59726033(+/-) N-Cyclopropyl-4-methyl-3-(1-(1,1,1-trifluoropropan-2-yl)phthalazin-6-yl)benzamide

試薬・触媒・溶媒 1

HCID 6228

Dimethylformamide

溶媒

実験手順

A solution of 4-methyl-3-(1-(1,1,1-trifluoropropan-2-yl)phthalazin-6-yl)benzoic acid (86 mg, 239 μmol) in N,N-dimethylformamide (1000 μl) were added HATU (136 mg, 358 μmol) and cyclopropylamine (8 μl, 2387 μmol). The resulting mixture was stirred at RT for 20 h, during which LC-MS indicated conversion to the desired product. The reaction was diluted with EtOAc and washed with water and brine. The organic layer was dried (MgSO4), filtered, and concentrated in vacuo. Preparative HPLC purification (Shimadzu) afforded the title compound as a white amorphous solid. MS (ES+): 400.4 (M+H)+.

出典と根拠

ORDレコード: ord-ebfa37adafc84f40b2823c91bf62c84d
出典データセット: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
特許番号: US08101612B2

反応ノート

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