1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-

Base Information

• Chemical Name: 1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-
• CAS No.: 73323-33-8
• Molecular Formula: C₂₃H₂₉N₅
• Molecular Weight: 375.517
• DSSTox Substance ID: DTXSID40223559
• Nikkaji Number: J64.268A
• Wikidata: Q83102013
• ChEMBL ID: CHEMBL53261
• Mol file: 73323-33-8.mol

Synonyms:BRN 4569515;73323-33-8;1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-;1-(gamma-Diethylaminopropylamino)-5,11-dimethyl-6H-dipyrido(4,3-b)(3,4-f)indole [French];1-(gamma-Diethylaminopropylamino)-5,11-dimethyl-6H-dipyrido(4,3-b)(3,4-f)indole;CHEMBL53261;DTXSID40223559;C23H29N5;C23-H29-N5;LS-119874;N-[3-(Diethylamino)propyl]-6,11-dimethyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinoline-10-amine

Chemical Property of 1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-

Chemical Property:

• Boiling Point: 618.8°Cat760mmHg
• Flash Point: 328°C
• PSA: 56.84000
• Density: 1.192g/cm³
• LogP: 5.09790
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 375.24229595
• Heavy Atom Count: 28
• Complexity: 495

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCCNC1=NC=CC2=C(C3=C(C(=C21)C)C4=C(N3)C=CN=C4)C

Technology Process of 1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-

There total 7 articles about 1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl- 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: 48.0%

10-chloro-6,11-dimethyl-5H-pyrido<3',4':4,5>pyrrolo<2,3-g>isoquinoline (73323-30-5) + diethylaminopropylamine (104-78-9) → 10-((γ-(diethylamino)propyl)amino)-6,11-dimethyl-5H-pyrido<3',4':4,5>pyrrolo<2,3-g>isoquinoline (73323-33-8)

Guidance literature:

for 4.5h; Heating;

DOI:10.1021/jo01299a028

Reference yield:

1-(5,8-dimethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-v-triazolo<4,5-c>pyridine (69022-60-2) → 10-((γ-(diethylamino)propyl)amino)-6,11-dimethyl-5H-pyrido<3',4':4,5>pyrrolo<2,3-g>isoquinoline (73323-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 84.6 percent / phosphorus oxychloride / 3 h / Heating

2: 35 percent / ethanol; triethylamine / 87 h / Irradiation

3: 48 percent / 4.5 h / Heating

With trichlorophosphate; In ethanol; triethylamine;

DOI:10.1021/jo01299a028

Reference yield:

4-chloro-3-nitropyridine (13091-23-1) → 10-((γ-(diethylamino)propyl)amino)-6,11-dimethyl-5H-pyrido<3',4':4,5>pyrrolo<2,3-g>isoquinoline (73323-33-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 62.3 percent / dimethylformamide / 360 h / Ambient temperature

2: 1) raney nickel/H₂, acetic acid, 2) NaNO₂/H₂O, 1.5h

3: 84.6 percent / phosphorus oxychloride / 3 h / Heating

4: 35 percent / ethanol; triethylamine / 87 h / Irradiation

5: 48 percent / 4.5 h / Heating

With trichlorophosphate; In ethanol; triethylamine; N,N-dimethyl-formamide;

DOI:10.1021/jo01299a028

upstream raw materials:

10-chloro-6,11-dimethyl-5H-pyrido<3',4':4,5>pyrrolo<2,3-g>isoquinoline

diethylaminopropylamine

1-(5,8-dimethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-v-triazolo<4,5-c>pyridine

4-chloro-3-nitropyridine