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Formic Acid → 4-(Methylamino)quinazoline-2-thiol

HRID 711644
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HRID 711644 반응식
Cl[C:2]1[N:11]=[C:10]([NH:12][CH3:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.NC(N)=[S:16].C(O)=O.[OH-].[Na+]>C(O)C>[CH3:13][NH:12][C:10]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[NH:3][C:2](=[S:16])[N:11]=1
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참가 물질

6

반응물 4

HCID 284Formic AcidHCID 14798Sodium HydroxideHCID 3180572-chloro-N-methylquinazolin-4-amineHCID 2723790Thiourea

생성물 1

HCID 25781794-(Methylamino)quinazoline-2-thiol수율 18.1%

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

A mixture of 2-chloro-N-methylquinazolin-4-amine (Example 39) (100 mg, 0.52 mmol), thiourea (47.5 mg, 0.62 mmol) and formic acid (0.02 mL, 0.52 mmol) in ethanol (5 mL) was refluxed for 1.5 h. After cooling to room temperature, the reaction mixture was neutralized with diluted NaOH aqueous solution. The solvent was removed under vacuum and the residue was purified by preparative HPLC eluting with acetonitrile and water to give the title compound (18 mg, 18%). 1H NMR (400 MHz, DMSO-d6) δ 2.99 (d, J=4.8 Hz, 3H), 7.25 (t, J=7.6 Hz, 1H), 7.35 (d, J=8.0 Hz, 1H), 7.65-7.61 (m, 1H), 8.0 (d, J=8.0 Hz, 1H), 8.70 (d, J=4.4 Hz, 1H), 12.32 (s, 1H). MS 192 (MH+).

후처리

  1. temperaturewas refluxed for 1.5 h
  2. customThe solvent was removed under vacuum
  3. customthe residue was purified by preparative HPLC
  4. washeluting with acetonitrile and water

출처 및 근거

ORD 기록
ord-fad31ecd19df4d7ca887b66516f19e1f
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09181276B2

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