1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea

Base Information

• Chemical Name: 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea
• CAS No.: 1027266-81-4
• Molecular Formula: C₁₈H₁₆F₂N₄O₂S
• Molecular Weight: 390.413
• Mol file: 1027266-81-4.mol

Synonyms:1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea

Chemical Property of 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea

There total 8 articles about 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,6-difluorophenylisothiocyanate (207974-17-2) + 7,8-diamino-4,4-dimethyl-2H,4H-isoquinoline-1,3-dione (99911-03-2) → 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea (1027266-81-4)

Guidance literature:

In ethyl acetate; at 20 ℃;

DOI:10.1021/jm020113o

Reference yield:

4,4-dimethyl-4H-isoquinoline-1,3-dione (5488-36-8) → 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea (1027266-81-4)

Guidance literature:

Multi-step reaction with 7 steps

1: 93 percent / H₂SO₄; HNO₃ / 0 - 5 °C

2: 98 percent / H₂ / 10percent Pd/C / methanol / 1.5 h / 2585.81 Torr

3: 86 percent / 3 h / 20 °C

4: 90percent aq. HNO₃ / -20 °C

5: 99 percent / 90percent aq. H₂SO₄ / 8 h / 70 °C

6: 100 percent / H₂ / PtO₂ / methanol / 1.25 h / 2585.81 Torr

7: ethyl acetate / 20 °C

With sulfuric acid; hydrogen; nitric acid; platinum(IV) oxide; In methanol; ethyl acetate;

DOI:10.1021/jm020113o

Reference yield:

4,4-dimethyl-7-nitro-2H-3,4-dihydro-isoquinolin-1,3-dione (14576-21-7) → 1-(8-amino-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-difluoro-phenyl)-thiourea (1027266-81-4)

Guidance literature:

Multi-step reaction with 6 steps

1: 98 percent / H₂ / 10percent Pd/C / methanol / 1.5 h / 2585.81 Torr

2: 86 percent / 3 h / 20 °C

3: 90percent aq. HNO₃ / -20 °C

4: 99 percent / 90percent aq. H₂SO₄ / 8 h / 70 °C

5: 100 percent / H₂ / PtO₂ / methanol / 1.25 h / 2585.81 Torr

6: ethyl acetate / 20 °C

With hydrogen; platinum(IV) oxide; In methanol; ethyl acetate;

DOI:10.1021/jm020113o

upstream raw materials:

2,6-difluorophenylisothiocyanate

7,8-diamino-4,4-dimethyl-2H,4H-isoquinoline-1,3-dione

4,4-dimethyl-4H-isoquinoline-1,3-dione

4,4-dimethyl-7-nitro-2H-3,4-dihydro-isoquinolin-1,3-dione