1-Azachrysene

Base Information

• Chemical Name: 1-Azachrysene
• CAS No.: 218-08-6
• Molecular Formula: C₁₇H₁₁N
• Molecular Weight: 229.281
• Hs Code.: 2933990090
• UNII: YC52ZEV34W
• DSSTox Substance ID: DTXSID20176211
• Nikkaji Number: J1.500.630G
• Wikidata: Q83046533
• Mol file: 218-08-6.mol

Synonyms:1-AZACHRYSENE;Naphtho(2,1-f)quinoline;CCRIS 1602;naphtho[2,1-f]quinoline;YC52ZEV34W;218-08-6;BRN 0009258;AZACHRYSENE;UNII-YC52ZEV34W;SCHEMBL18624809;DTXSID20176211;LS-95600;5-20-08-00522 (Beilstein Handbook Reference)

Chemical Property of 1-Azachrysene

Chemical Property:

• Vapor Pressure: 7.47E-08mmHg at 25°C
• Melting Point: 226-227 °C
• Boiling Point: 449.7°Cat760mmHg
• PKA: 5.15±0.30(Predicted)
• Flash Point: 203.2°C
• PSA: 12.89000
• Density: 1.239g/cm³
• LogP: 4.54120
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 229.089149355
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC=N4

Technology Process of 1-Azachrysene

There total 6 articles about 1-Azachrysene 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: 60.0%

di-tert-butyl 1-cyclopropyl-2-(phenanthren-2-yl)hydrazine-1,2-dicarboxylate → naphtho[2,1-f]quinoline (218-08-6)

Guidance literature:

With phosphoric acid; In water; 1,2-dichloro-benzene; at 170 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/ange.202005798

Reference yield: 58.0%

5-iodoquinoline (1006-50-4) + bicyclo[2.2.1]hepta-2,5-diene (121-46-0) + 2-bromobenzoic-acid (88-65-3) → naphtho[2,1-f]quinoline (218-08-6)

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 130 ℃; for 18h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201703551

Reference yield: 13.0%

trans-1-(1-naphthyl)-2-(2-pyridyl)-ethylene (53500-07-5) → naphtho[2,1-f]quinoline (218-08-6)

Guidance literature:

With air; In toluene; at 19 ℃; for 10h; UV-irradiation;

DOI:10.1055/s-2007-983745

upstream raw materials:

2-aminophenanthrene

glycerol

Benzyl phenyl sulfide

sulfuric acid

Refernces

• 1、 Fu, Wai Chung,Wang, Zheng,Chan, Wesley Ting Kwok,Lin, Zhenyang,Kwong, Fuk Yee. "Regioselective Synthesis of Polycyclic and Heptagon-embedded Aromatic Compounds through a Versatile π-Extension of Aryl Halides". supporting information. p. 7166 - 7170. Retrieved 2017/06/13.
• 2、 Severin, Maria Gabriella,Arevalo, Maria Carmen,Farnia, Giuseppe,Vianello, Elio. "Homogeneous and Heterogeneous Electron Transfer to Benzyl Phenyl Sulfide". . p. 466 - 472. Retrieved 2007/10/02.