5-Methoxy-2,3-dihydro-1H-benzo[DE]isoquinoline

Base Information

• Chemical Name: 5-Methoxy-2,3-dihydro-1H-benzo[DE]isoquinoline
• CAS No.: 802596-27-6
• Molecular Formula: C₁₃H₁₃NO
• Molecular Weight: 199.252
• DSSTox Substance ID: DTXSID90703831
• Wikidata: Q82636095
• Mol file: 802596-27-6.mol

Synonyms:802596-27-6;5-METHOXY-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE;2,3-dihydro-5-methoxy-1H-Benz[de]isoquinoline;DTXSID90703831;AKOS006284251;FT-0758350;11-methoxy-3-azatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene

Chemical Property of 5-Methoxy-2,3-dihydro-1H-benzo[DE]isoquinoline

Chemical Property:

• PSA: 21.26000
• LogP: 2.78040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

98.5% ^*data from raw suppliers

5-METHOXY-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C3C(=CC=CC3=C1)CNC2

Technology Process of 5-Methoxy-2,3-dihydro-1H-benzo[DE]isoquinoline

There total 4 articles about 5-Methoxy-2,3-dihydro-1H-benzo[DE]isoquinoline 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:

2-Benzyl-5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (24783-53-7) → 5-Methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (802596-27-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; under 2062.7 Torr;

DOI:10.1021/jm00348a020

Reference yield:

2-Benzyl-5-methoxy-benzo[de]isoquinoline-1,3-dione → 5-Methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (802596-27-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / toluene; diethyl ether / 22 h / 50 °C

2: H₂ / 10percent Pd/C / aq. ethanol / 3 h / 2062.7 Torr

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In diethyl ether; ethanol; toluene;

DOI:10.1021/jm00348a020

Reference yield:

3-methoxy-1,8-naphthalic anhydride (5289-78-1) → 5-Methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (802596-27-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / 160 °C

2: LiAlH₄ / toluene; diethyl ether / 22 h / 50 °C

3: H₂ / 10percent Pd/C / aq. ethanol / 3 h / 2062.7 Torr

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In diethyl ether; ethanol; toluene;

DOI:10.1021/jm00348a020

upstream raw materials:

2-Benzyl-5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline

3-methoxy-1,8-naphthalic anhydride