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Dimethylamine, hydrochloride → 4-Dimethylcarbamoylmethyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amide

HRID 575127
ノート
印刷プレビュー

反応式

HRID 575127 の反応式
[C:1]([C:4]1[S:5][C:6]2[CH:7]([CH2:24][C:25]([OH:27])=O)[CH2:8][O:9][C:10]3[CH:17]=[CH:16][C:15]([C:18]#[C:19][C:20]([OH:23])([CH3:22])[CH3:21])=[CH:14][C:11]=3[C:12]=2[N:13]=1)(=[O:3])[NH2:2].Cl.[CH3:29][NH:30][CH3:31].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.CCN(C(C)C)C(C)C>C(Cl)Cl>[CH3:29][N:30]([CH3:31])[C:25]([CH2:24][CH:7]1[C:6]2[S:5][C:4]([C:1]([NH2:2])=[O:3])=[N:13][C:12]=2[C:11]2[CH:14]=[C:15]([C:18]#[C:19][C:20]([OH:23])([CH3:21])[CH3:22])[CH:16]=[CH:17][C:10]=2[O:9][CH2:8]1)=[O:27]
参加物反応条件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 10473Dimethylamine, hydrochlorideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 86693151[2-Carbamoyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-4-yl]-acetic acid

生成物 1

HCID 86693152
4-Dimethylcarbamoylmethyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amide
収率 46.8%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

反応条件

温度
60 °C

実験手順

To a mixture of [2-Carbamoyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-4-yl]-acetic acid (60 mg, 0.155 mmol) in DCM (20 mL) were added Dimethylamine Hydrochloride (31.7 mg, 0.388 mmol), HOBt (31.5 mg, 0.233 mmol), EDCI (44.7 mg, 0.233 mmol) and DIPEA (60.3 mg, 0.466 mmol). The mixture stirred in autoclave at 60° C. overnight. Then the mixture was cooled to room temperature and partitioned between EtOAc and H2O, and the aqueous layer was extracted with EtOAc (2×20 mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated in vacuo. The residue was triturated with EtOAc and hexane (1:1) to afford 4-Dimethylcarbamoylmethyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amide (30 mg, 46%). 1H NMR (400 MHz, DMSO-d6): δ 8.61 (d, J=1.8 Hz, 1H), 8.42 (s, 1H), 7.85 (s, 1H), 7.27 (d, J=8.4 Hz, 1H), 7.04 (d, J=8.3 Hz, 1H), 5.45 (s, 1H), 4.5 (m, 1H), 4.10 (m, 1H), 3.93 (m, 1H), 2.90 (d, J=16 Hz, 6H), 2.82 (m, 1H), 2.69 (m, 1H), 1.47 (s, 6H); LC-MS (ESI & APCI): 414.5 (M+1).

後処理

  1. temperatureThen the mixture was cooled to room temperature
  2. custompartitioned between EtOAc and H2O
  3. extractionthe aqueous layer was extracted with EtOAc (2×20 mL)
  4. washThe combined organic layers were washed with brine
  5. dry with materialdried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated in vacuo
  8. customThe residue was triturated with EtOAc and hexane (1:1)

出典と根拠

ORDレコード
ord-237b531e8bc44448beb158bb5a9b858f
出典データセット
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09034866B2

反応ノート

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