Naphthalen-1,4-imine,1,4-dihydro-

Base Information

• Chemical Name: Naphthalen-1,4-imine,1,4-dihydro-
• CAS No.: 5176-20-5
• Molecular Formula: C10H9 N
• Molecular Weight: 143.188
• DSSTox Substance ID: DTXSID30966064
• Nikkaji Number: J1.343.820J
• Mol file: 5176-20-5.mol

Synonyms:Naphthalen-1,4-imine,1,4-dihydro-;5176-20-5;Naphthalen-1,4-imine, 1,4-dihydro-;SCHEMBL4553235;DTXSID30966064;11-Aza-tricyclo[6.2.1.0(2,7)]undec-2,4,6,9-tetraene;1,4-Dihydro-1,4-epiminonaphthalene;1,4-epimino-1,4-dihydronaphthalene;AKOS006348084;EN300-6772570;11-azatricyclo[6.2.1.0,2,7]undeca-2,4,6,9-tetraene

Chemical Property of Naphthalen-1,4-imine,1,4-dihydro-

Chemical Property:

• Vapor Pressure: 0.0188mmHg at 25°C
• Boiling Point: 252.9°C at 760 mmHg
• PKA: 7.13±0.20(Predicted)
• Flash Point: 113.6°C
• PSA: 12.03000
• Density: 1.151g/cm³
• LogP: 2.27060
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073499291
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3C=CC(C2=C1)N3

Technology Process of Naphthalen-1,4-imine,1,4-dihydro-

There total 6 articles about Naphthalen-1,4-imine,1,4-dihydro- 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: 78.0%

ethyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate (39996-25-3) → 1,4-dihydro-1,4-epiazano-naphthalene (5176-20-5)

Guidance literature:

With sodium hydroxide; for 45h; Heating;

DOI:10.1016/S0040-4020(01)88190-4

Reference yield: 34.0%

methanol (67-56-1) + 9-chloro-1,4-dihydro-1,4-epiazano-naphthalene (24125-90-4,24125-91-5,171032-85-2) → 1,4-dihydro-1,4-epiazano-naphthalene (5176-20-5) + 2-methoxy-6,7-benzo-1-azabicyclo(3.2.0)-hept-3-ene

Guidance literature:

With silver nitrate; at 0 ℃; for 0.25h;

DOI:10.1016/0040-4020(95)00336-7

Reference yield: 10.0%

methanol (67-56-1) + 9-chloro-1,4-dihydro-1,4-epiazano-naphthalene (24125-90-4,24125-91-5,171032-85-2) → 1,4-dihydro-1,4-epiazano-naphthalene (5176-20-5) + (1R,2S,3R,4S)-2,3-Dimethoxy-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene

Guidance literature:

Ambient temperature;

DOI:10.1016/0040-4020(95)00336-7

upstream raw materials:

methanol

ethyl 11-azatricyclo[6.2.1.0^2,7]undeca-2,4,6,9-tetraene-11-carboxylate

9-chloro-1,4-dihydro-1,4-epiazano-naphthalene

N-(tert-butoxycarbonyl)-1,4-dihydro-1,4-iminonaphthalene

Downstream raw materials:

2,4-dinitrobenzenesulphenamide of 1,4-dihydro-1,4-iminonaphthalene

9-Phenylsulfanyl-1,4-dihydro-1,4-epiazano-naphthalene

naphthalene

7-(benzoylamino)-2,3-benzo-7-azabicyclo<2.2.1>hepta-2,5-diene