5-Methyl-1,10-phenanthroline

Base Information

• Chemical Name: 5-Methyl-1,10-phenanthroline
• CAS No.: 3002-78-6
• Deprecated CAS: 71958-77-5
• Molecular Formula: C13H10N2
• Molecular Weight: 194.236
• Hs Code.: 29339900
• European Community (EC) Number: 221-099-9
• NSC Number: 4272
• DSSTox Substance ID: DTXSID4062771
• Nikkaji Number: J150.535A
• Wikidata: Q72494528
• ChEMBL ID: CHEMBL98682
• Mol file: 3002-78-6.mol

Synonyms:5-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline monohydrochloride

Chemical Property of 5-Methyl-1,10-phenanthroline

Chemical Property:

• Appearance/Colour: light yellow to beige powder
• Melting Point: 113-114 °C(lit.)
• Refractive Index: 1.5014 (estimate)
• Boiling Point: 378.4 °C at 760 mmHg
• PKA: 4.89±0.10(Predicted)
• Flash Point: 169.1 °C
• PSA: 25.78000
• Density: 1.211 g/cm³
• LogP: 3.09140
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: methanol: soluble50mg/mL, clear to slightly hazy, colorless to y
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.084398327
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-1,10-phenanthroline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36/37/39-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2
• Uses: 5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.

Technology Process of 5-Methyl-1,10-phenanthroline

There total 3 articles about 5-Methyl-1,10-phenanthroline 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:

8-amino-6-methylquinoline (68420-93-9) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 5-methyl-1,10-phenanthroline (3002-78-6)

Guidance literature:

With arsenic(V) oxide; sulfuric acid; at 130 - 135 ℃;

DOI:10.1021/ja01231a025

Reference yield:

6-methyl-8-nitroquinoline (68420-92-8) → 5-methyl-1,10-phenanthroline (3002-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 4>2S; ethanol

2: as2O₅; concentrated H₂SO₄ / 130 - 135 °C

With diammonium sulfide; arsenic(V) oxide; ethanol; sulfuric acid;

DOI:10.1021/ja01231a025

Reference yield:

methyltrioxorhenium and 5-methyl-1,10-phenanthroline 1:1 complex + [2,2]bipyridinyl (366-18-7) → methyltrioxorhenium and 2,2'-bipyridine 1:1 complex + 5-methyl-1,10-phenanthroline (3002-78-6)

Guidance literature:

at 21.85 ℃; Equilibrium constant;

DOI:10.1039/b502505b

upstream raw materials:

8-amino-6-methylquinoline

glycerol

[2,2]bipyridinyl

6-methyl-8-nitroquinoline

Downstream raw materials:

[2,2]bipyridinyl

3-n-butoxybenzonitrile

2.3-dihydrobenzofuran

Cu(C₁₂H₇N₂(CH₃))(P(C₆H₅)3)2⁽¹⁺⁾*BF₄^(1-)=(Cu(C₁₂H₇N₂(CH₃))(P(C₆H₅)3)2)BF₄

Refernces

• 1、 Nabavizadeh, S. Masoud. "Thermodynamic studies of the binding of bidentate nitrogen donors with methyltrioxorhenium (MTO) in CHCl3 solution". . p. 1644 - 1648. Retrieved 2007/10/03.