3,8-Diamino-6-phenylphenanthridine

Base Information

• Chemical Name: 3,8-Diamino-6-phenylphenanthridine
• CAS No.: 52009-64-0
• Molecular Formula: C19H15 N3
• Molecular Weight: 285.348
• European Community (EC) Number: 257-602-3
• DSSTox Substance ID: DTXSID00966339
• Nikkaji Number: J279.423C
• Wikidata: Q82948735
• Mol file: 52009-64-0.mol

Synonyms:3,8-DAPP;3,8-diamino-6-phenyl-phenanthridine;3,8-diamino-6-phenylphenanthridine

Chemical Property of 3,8-Diamino-6-phenylphenanthridine

Chemical Property:

• Appearance/Colour: Crystaline Yellow Solid
• Vapor Pressure: 1.74E-12mmHg at 25°C
• Melting Point: 196-198 °C(lit.)
• Boiling Point: 558°Cat760mmHg
• PKA: 5.96±0.30(Predicted)
• Flash Point: 325.6°C
• PSA: 64.93000
• Density: 1.292g/cm³
• LogP: 5.38180
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in chloroform, dichloromethane and methanol.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 285.126597491
• Heavy Atom Count: 22
• Complexity: 379

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Phenylphenathridine-3,8-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)N)N
• Uses: 3,8-Diamino-6-phenylphenanthridine is used in the synthesis of rigid polyamides. It has anti-tumor and anti-viral properties. Used in the synthesis of rigid polyamides. It has been investigated for its anti-tumor and anti-viral properties. Small organic molecules, such as 3,8-Diamino-6-phenylphenanthridine, can bind to DNA by means of a non-specific binding along the DNA exterior.

Technology Process of 3,8-Diamino-6-phenylphenanthridine

There total 4 articles about 3,8-Diamino-6-phenylphenanthridine 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: 95.0%

3,8-dinitro-6-phenylphenanthridine (82921-86-6) → 3,8-diamino-6-phenylphenanthridine (52009-64-0)

Guidance literature:

With hydrazine hydrate; In ethanol; at 75 ℃; for 1h;

DOI:10.1134/S107042721109014X

Reference yield:

biphenyl (92-52-4,1594-86-1) → 3,8-diamino-6-phenylphenanthridine (52009-64-0)

Guidance literature:

Multi-step reaction with 5 steps

1: nitric acid / tetrachloromethane

2: hydrogen / ethanol / 60 °C / 22052.2 Torr

3: sulfuric acid; potassium nitrate

4: tin(IV) chloride / nitrobenzene

5: hydrazine hydrate / ethanol / 1 h / 75 °C

With hydrazine hydrate; sulfuric acid; hydrogen; nitric acid; tin(IV) chloride; potassium nitrate; In tetrachloromethane; ethanol; nitrobenzene;

DOI:10.1134/S107042721109014X

Reference yield:

2-nitrobiphenyl (86-00-0) → 3,8-diamino-6-phenylphenanthridine (52009-64-0)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen / ethanol / 60 °C / 22052.2 Torr

2: sulfuric acid; potassium nitrate

3: tin(IV) chloride / nitrobenzene

4: hydrazine hydrate / ethanol / 1 h / 75 °C

With hydrazine hydrate; sulfuric acid; hydrogen; tin(IV) chloride; potassium nitrate; In ethanol; nitrobenzene;

DOI:10.1134/S107042721109014X

upstream raw materials:

3,8-dinitro-6-phenylphenanthridine

biphenyl

2-nitrobiphenyl

2-phenylaniline

Downstream raw materials:

3,8-diamino-5-ethyl-6-phenylphenanthridinium ethyl sulfate

hydroethidine

C₃₀H₃₅N₃O₄

3,8-bis((tert-butoxycarbonyl)amino)-5-methyl-6-phenylphenanthridin-5-ium iodide

Refernces