4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid

Base Information

• Chemical Name: 4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid
• CAS No.: 1203589-00-7
• Molecular Formula: C₂₅H₁₅ClF₂N₄O₂
• Molecular Weight: 482.824

Synonyms:4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid

Chemical Property of 4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid

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Technology Process of 4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid

There total 2 articles about 4-[[1,3-di⁽¹⁵⁾N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid 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: 58.0%

8-chloro-4-[(dimethylamino)methylene]-1-(2,6-difluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one (869366-10-9) + C8H5(2)H4N(15)N2O2*Cl(2)H → 4-[[1,3-di(15)N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid (1203589-00-7)

Guidance literature:

8-chloro-4-[(dimethylamino)methylene]-1-(2,6-difluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one; C₈H₅⁽²⁾H₄N⁽¹⁵⁾N₂O₂*Cl⁽²⁾H; With potassium carbonate; In d⁽⁴⁾-methanol; at 60 ℃; Inert atmosphere;

With hydrogen chloride; In water-d2;

DOI:10.1002/jlcr.1607

Reference yield:

4-aminobenzoic-2,3,5,6-d4 acid (350820-01-8) → 4-[[1,3-di(15)N-9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeutero-benzoic acid (1203589-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride / water-d2 / 4 h / 85 °C

2: potassium carbonate / d⁽⁴⁾-methanol / 60 °C / Inert atmosphere

With hydrogen chloride; potassium carbonate; In d⁽⁴⁾-methanol; water-d2;

DOI:10.1002/jlcr.1607

upstream raw materials:

8-chloro-4-[(dimethylamino)methylene]-1-(2,6-difluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one

4-aminobenzoic-2,3,5,6-d₄ acid

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