7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one

Base Information

• Chemical Name: 7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one
• CAS No.: 16675-74-4
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.278
• NSC Number: 131696

Synonyms:16675-74-4;7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one;NSC131696;AKOS004901673;NSC-131696

Chemical Property of 7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one

Chemical Property:

• Vapor Pressure: 1.58E-07mmHg at 25°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2CC3=CC4=C(C=C3CC2CC1=O)OCO4

Technology Process of 7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-one

There total 4 articles about 7,8,10A,11-tetrahydro-5H-[1,3]dioxolo[4,5-g]pyrido[1,2-b]isoquinolin-9(10H)-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:

(2H-1,3-benzodioxol-5-ylmethyl)(2,2-dimethoxyethyl)amine (54879-81-1) → (8,9-methylenedioxy)-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-74-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 48 h / Ambient temperature

2: conc. aq. HCl / 0.5 h / Heating

With hydrogenchloride; In diethyl ether;

Reference yield:

4-[benzo[1,3]dioxol-5-ylmethyl-(2,2-diethoxy-ethyl)-amino]-butan-2-one → (8,9-methylenedioxy)-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-74-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01271a077

Reference yield:

4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-butan-2-one (46985-27-7) → (8,9-methylenedioxy)-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-74-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01271a077

upstream raw materials:

4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-butan-2-one

(2H-1,3-benzodioxol-5-ylmethyl)(2,2-dimethoxyethyl)amine

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