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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

Diisopropylethylamine → 5-[2-(Pyridin-3-ylamino)-pyrimidin-4-yl]-thiophene-2-carboxylic acid (2-cyanoethyl)-ethyl amide

HRID 1012187

印刷プレビュー

反応式

HRID 1012187 の反応式

[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([NH:7][C:8]2[N:13]=[C:12]([C:14]3[S:18][C:17]([C:19]([OH:21])=O)=[CH:16][CH:15]=3)[CH:11]=[CH:10][N:9]=2)[CH:2]=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:55]([NH:57][CH2:58][CH2:59][C:60]#[N:61])[CH3:56]>CC(N(C)C)=O>[C:60]([CH2:59][CH2:58][N:57]([CH2:55][CH3:56])[C:19]([C:17]1[S:18][C:14]([C:12]2[CH:11]=[CH:10][N:9]=[C:8]([NH:7][C:3]3[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=3)[N:13]=2)=[CH:15][CH:16]=1)=[O:21])#[N:61]

参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 81531Diisopropylethylamine

HCID 2489613-(Ethylamino)propionitrile

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

HCID 594686335-[2-(Pyridin-3-ylamino)-pyrimidin-4-yl]-thiophene-2-carboxylic acid

生成物 1

HCID 683013715-[2-(Pyridin-3-ylamino)-pyrimidin-4-yl]-thiophene-2-carboxylic acid (2-cyanoethyl)-ethyl amide

収率 11%

試薬・触媒・溶媒 1

HCID 31374Dimethylacetamide溶媒

実験手順

Combined 5-[2-(Pyridin-3-ylamino)-pyrimidin-4-yl]-thiophene-2-carboxylic acid (22 mg, 0.065 mmol), DIEA (27 uL, 0.195 mmol), and HATU (36.8 mg, 0.097 mmol) in DMA (0.5 mL) in a Smith microwave vial. Added 3-ethylamino propionitrile (10.9 uL, 0.097 mmol) and heated in microwave for 900 seconds at 90° C. The crude mixture was purified by prep LCMS to afford title compound (2.7 mg, 10.9%). MS: m/z 379 (M+H+). 1H NMR (500 MHz, DMSO-d6) δ 1.203 (br t, 3H), 2.88 (br t, J=6.5 Hz, 2H), 3.65 (Br s, 2H), 3.70 (Br s, 2H), 7.33 (dd, J=5, 8.5 Hz, 1H), 7.469 (dd, J=1.5, 6.5 Hz, 1H), 7.497 (dd, J=1.5, 4 Hz, 1H), 7.985 (dd, J=1.5, 4 Hz, 1H), 8.16 (m, 1H), 8.22 (m, 1H), 8.56 (dd, J=1.5, 5 Hz, 1H), 8.95 (d, J=2.5 Hz, 1H), 9.91, (s, 1H).

後処理

customThe crude mixture was purified by prep LCMS

出典と根拠

ORDレコード: ord-2748e62ea0334d0cad1ff769a0b27477
出典データセット: uspto-grants-2011_07
DOI: 10.6084/m9.figshare.5104873.v1
特許番号: US07977481B2

反応ノート

読み込み中…

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