8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one

Base Information

• Chemical Name: 8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one
• CAS No.: 16675-71-1
• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.321
• NSC Number: 131702
• DSSTox Substance ID: DTXSID00299639

Synonyms:16675-71-1;8,9-dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one;NSC131702;SCHEMBL9765940;DTXSID00299639;NSC-131702

Chemical Property of 8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one

Chemical Property:

• Vapor Pressure: 2.66E-07mmHg at 25°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 261.13649347
• Heavy Atom Count: 19
• Complexity: 346

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2CN3CCC(=O)CC3CC2=C1)OC

Technology Process of 8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one

There total 1 articles about 8,9-Dimethoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one 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:

→ 8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-71-1)

Guidance literature:

N-(3,4-Dimethoxy-benzyl)-N-(3-oxo-butyl)-aminoacetaldehyd-diethylacetal, 12 n-HCl; Ausb. 66percent;

DOI:10.1021/jo01271a077

Reference yield: 60.0%

8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-71-1) + phenylmagnesium bromide → 8,9-dimethoxy-2-phenyl-2,3,4,6,11,11a-hexahydro-1H-benzoquinolizin-2-ol

Guidance literature:

In tetrahydrofuran; diethyl ether; for 12h; Ambient temperature;

Reference yield: 50.0%

8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-71-1) → 8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizine (6495-96-1)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In various solvent(s); 1.) reflux, 90 min., 2.) 190 deg C, 3 h;

Downstream raw materials:

8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizine

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