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Hydrochloric Acid → (Rac)-7-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-9-cyclopropyl-6-fluoro-9h-isothiazolo[5,4-b]quinoline-3,4-dione

HRID 1640961
ノート
印刷プレビュー

反応式

HRID 1640961 の反応式
Cl.C(Cl)Cl.C(OC(=O)[NH:11][CH:12]1[CH2:21][CH2:20][C:19]2[C:14](=[CH:15][CH:16]=[C:17]([C:22]3[CH:31]=[C:30]4[C:25]([C:26](=[O:39])[C:27]5[C:37](=[O:38])[NH:36][S:35][C:28]=5[N:29]4[CH:32]4[CH2:34][CH2:33]4)=[CH:24][C:23]=3[F:40])[CH:18]=2)[CH2:13]1)(C)(C)C>C(O)(=O)C>[NH2:11][CH:12]1[CH2:21][CH2:20][C:19]2[CH:18]=[C:17]([C:22]3[CH:31]=[C:30]4[C:25]([C:26](=[O:39])[C:27]5[C:37](=[O:38])[NH:36][S:35][C:28]=5[N:29]4[CH:32]4[CH2:34][CH2:33]4)=[CH:24][C:23]=3[F:40])[CH:16]=[CH:15][C:14]=2[CH2:13]1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 313Hydrochloric Acid2 回HCID 6344Dichloromethane2 回HCID 58426875(Rac)-tert-butyl[6-(9-cyclopropyl-6-fluoro-3,4-dioxo-2,3,4,9-tetrahydro-isothiazolo[5,4-b]quinolin-7-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

生成物 1

HCID 59999527(Rac)-7-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-9-cyclopropyl-6-fluoro-9h-isothiazolo[5,4-b]quinoline-3,4-dione

試薬・触媒・溶媒 1

HCID 176
Acetic Acid
溶媒

実験手順

In air, a solution of hydrogen chloride in acetic acid (1 M, 1.8 mL) is added at room temperature to a solution of methylene chloride (0.6 mL) containing (rac)-tert-Butyl[6-(9-cyclopropyl-6-fluoro-3,4-dioxo-2,3,4,9-tetrahydro-isothiazolo[5,4-b]quinolin-7-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (11.4 mg, 0.022 mmol). A yellow precipitate begins to appear within minutes of addition of the solution of hydrogen chloride. After stirring the mixture at room temperature for 18 h, additional methylene chloride is added (2 mL). The precipitate is collected by filtration, washed with methylene chloride (4×5 mL), and dried in vacuo to give pure 31 (97% purity by HPLC analysis) as a yellow powder. mp >257-258° C. dec. 1H NMR (DMSO-d6, 60° C.): δ 1.21 (m, 2H, c-Pr CH2), 1.29 (m, 2H, c-Pr CH2), 1.80 (m, 1H, H-3), 2.12 (m, 1H, H-3), 2.83 (dd, J=17.0 Hz, 10.0 Hz, 1H, H-1), 2.90 (m, 2H, H-4), 3.13 (dd, J=17.0 Hz, 6.0 Hz, 1H, H-1), 3.46 (m, 1H, H-2), 3.57 (m, 1H, c-Pr CH), 7.25 (d, J=8.0 Hz, 1H, H-8), 7.37 (s, 1H, H-5), 7.39 (d, J=8.0 Hz, 1H, H-7), 7.93 (d, JH-F=10.5 Hz, 1H, ITQ H-5), 8.01 (d, JH-F=6.5 Hz, 1H, ITQ H-8). 19F{1H} NMR (DMSO-d6, 60° C.): δ −123.3 (s). NMR spectra collected at room temperature contained broad, unresolved signals. LCMS m/z calcd for C23H20FN3O2S ([M]+) 421. Found 422 ([M+H]+). HRMS m/z calcd for C23H20FN3NaO2S ([M+Na]+) 444.1158. Found 444.1152.

後処理

  1. filtrationThe precipitate is collected by filtration
  2. washwashed with methylene chloride (4×5 mL)
  3. customdried in vacuo
  4. customto give pure 31 (97% purity by HPLC analysis) as a yellow powder
  5. customNMR spectra collected at room temperature

出典と根拠

ORDレコード
ord-0722276113914cd9bad76bd56753c507
出典データセット
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08114888B2

反応ノート

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このページの内容参加物実験手順後処理出典と根拠反応ノート