Ivabradine Impurity 12

Base Information

• Chemical Name: Ivabradine Impurity 12
• CAS No.: 85175-52-6
• Molecular Formula: C₁₆H₂₄N₂O₃*ClH
• Molecular Weight: 328.839
• UNII: D65SP8A4F6
• Mol file: 85175-52-6.mol

Synonyms:85175-52-6;D65SP8A4F6;UNII-D65SP8A4F6;Ivabradine Impurity 12;7,8-Dimethoxy-3-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride;2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7,8-dimethoxy-3-(3-(methylamino)propyl)-, hydrochloride (1:1);7,8-dimethoxy-3-[3-(methylamino)propyl]-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride;SCHEMBL10597759;AMUXOOATRHJXHN-UHFFFAOYSA-N;7,8-Dimethoxy-3-(3-methylamino-propyl)-1,3,4,5-tetrahydro-benzo[d]azepin-2-one HCl;N-[3-(7,8-Dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on-3-yl)-propyl]methylamine-hydrochloride

Chemical Property of Ivabradine Impurity 12

Chemical Property:

• Melting Point: 110 °C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.1553704
• Heavy Atom Count: 22
• Complexity: 338

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC.Cl

Technology Process of Ivabradine Impurity 12

There total 3 articles about Ivabradine Impurity 12 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: 87.0%

3-{3-[benzyl(methyl)amino]propyl}-7,8-dimethoxy-2,3-dihydro-1H-3-benzazepin-2-one (96254-71-6) → 7,8-dimethoxy-3-<3-(methylamino)propyl>-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (85175-52-6)

Guidance literature:

Reference yield: 87.0%

→ 7,8-dimethoxy-3-<3-(methylamino)propyl>-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (85175-52-6)

Guidance literature:

Reference yield:

7,8-dimethoxy-3-(3-chloropropyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (85175-65-1) → 7,8-dimethoxy-3-<3-(methylamino)propyl>-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (85175-52-6)

Guidance literature:

With methylamine;

upstream raw materials:

7,8-dimethoxy-3-(3-chloropropyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

3-{3-[benzyl(methyl)amino]propyl}-7,8-dimethoxy-2,3-dihydro-1H-3-benzazepin-2-one

Downstream raw materials:

3-(3-{[2-(5-Benzyloxy-1H-indol-3-yl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[d]azepin-2-one