Hydrochloric Acid → HCID 178480227、化合物

HRID 592023

反応式

HRID 592023 の反応式
[NH2:1][C:2]1[C:7]([NH2:8])=[C:6]([NH:9][C@@H:10]2[C@@H:15]3[CH2:16][C@@H:12]([CH:13]=[CH:14]3)[C@@H:11]2[C:17]([NH2:19])=[O:18])[C:5]([Cl:20])=[CH:4][N:3]=1.[CH3:21][N:22]1[CH2:27][CH2:26][CH:25]([CH:28]=O)[CH2:24][CH2:23]1.Cl.C([O-])(=O)C.[NH4+].C(N(CC)C(C)C)(C)C>>[Cl:20][C:5]1[C:6]([NH:9][C@@H:10]2[C@@H:15]3[CH2:16][C@@H:12]([CH:13]=[CH:14]3)[C@@H:11]2[C:17]([NH2:19])=[O:18])=[C:7]2[N:8]=[C:28]([CH:25]3[CH2:26][CH2:27][N:22]([CH3:21])[CH2:23][CH2:24]3)[NH:1][C:2]2=[N:3][CH:4]=1

参加物

6

反応物 5

HCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 517165Ammonium AcetateHCID 125352281-Methylpiperidine-4-carbaldehydeHCID 117701912(1S,2S,3R,4R)-3-(2,3-Diamino-5-chloro-pyridin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

生成物 1

HCID 178480227HCID 178480227、化合物収率 21%

実験手順

In a similar fashion to Compound LXXXVII, (1S,2S,3R,4R)-3-(2,3-Diamino-5-chloro-pyridin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide (75.00 mg, 0.2553 mmol), 1-Methyl-piperidine-4-carbaldehyde; hydrochloride (46.0 mg, 0.281 mmol), Ammonium acetate (39.4 mg, 0.511 mmol), and N,N-Diisopropylethylamine (53.37 uL, 0.3064 mmol) were reacted to produce 21.99 mg (21%) of the title compound. (300 MHz, DMSO-d6) 12.52 (s, 1H), 7.86 (s, 1H), 7.72 (s, 1H), 7.18 (s, 1H), 6.95 (d, J=9 Hz, 1H), 6.29 (m, 2H), 5.09 (t, J=17 Hz, 8.5 Hz, 1H), 2.87-2.54 (m, 7H), 2.18 (s, 3H), 1.98 (m, 4H), 1.81 (m, 2H), 1.38 (d, J=8 Hz, 1H). MS=499 (M+H), HPLC: 2.47 min. (G Method)

出典と根拠

ORDレコード
ord-b8cd4f9df48740f688903406470ef6af
出典データセット
uspto-grants-2016_01
特許番号
US09238656B2

関連ノート

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