5,6-Dimethyl-1,10-phenanthroline

Base Information

• Chemical Name: 5,6-Dimethyl-1,10-phenanthroline
• CAS No.: 3002-81-1
• Deprecated CAS: 71958-76-4
• Molecular Formula: C14H12N2
• Molecular Weight: 208.263
• Hs Code.: 29339900
• European Community (EC) Number: 221-100-2
• DSSTox Substance ID: DTXSID9062772
• Nikkaji Number: J150.534C
• Wikidata: Q72471175
• ChEMBL ID: CHEMBL1571901
• Mol file: 3002-81-1.mol

Synonyms:5,6-Dimethyl-1,10-phenanthroline;3002-81-1;1,10-Phenanthroline, 5,6-dimethyl-;EINECS 221-100-2;MLS001359997;SCHEMBL250356;CHEMBL1571901;DTXSID9062772;BRPQDJPJBCQFSR-UHFFFAOYSA-;HMS3059A07;MFCD00004983;AKOS015899659;CS-W004561;NCGC00247284-01;AS-60974;SMR001224336;5,6-Dimethyl-1,10-phenanthroline, 99%;D1559;FT-0619829;5,6-dimethy-1,10-phenathroline(monohydrate);A820147;J-017737

Chemical Property of 5,6-Dimethyl-1,10-phenanthroline

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 3.76E-06mmHg at 25°C
• Melting Point: 266-269 °C(lit.)
• Refractive Index: 1.693
• Boiling Point: 396.976 °C at 760 mmHg
• PKA: 5.31±0.10(Predicted)
• Flash Point: 176.595 °C
• PSA: 25.78000
• Density: 1.179 g/cm³
• LogP: 3.39980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: almost transparency in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

5,6-Dimethyl-1,10-phenanthroline ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=C(C2=C(C3=C1C=CC=N3)N=CC=C2)C

Technology Process of 5,6-Dimethyl-1,10-phenanthroline

There total 3 articles about 5,6-Dimethyl-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:

5,6-dimethyl-[8]quinolylamine (68527-69-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 5, 6-dimethyl-1,10-phenanthroline (3002-81-1)

Guidance literature:

With arsenic(V) oxide; sulfuric acid;

DOI:10.1021/ja01192a008

Reference yield:

1,10-Phenanthroline (66-71-7) + lead(II) nitrate + uranyl nirate hexahydrate + 1,3,5-benzenetriacetic acid (4435-67-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5, 6-dimethyl-1,10-phenanthroline (3002-81-1) + [UO2Pb(1,3,5-benzenetriacetate)(HCOO)(1,10-phenanthroline)]

Guidance literature:

In water; at 140 ℃; Overall yield = 40 %; Overall yield = 38 mg;

DOI:10.1021/acs.inorgchem.6b01168

Reference yield:

→ 5, 6-dimethyl-1,10-phenanthroline (3002-81-1)

Guidance literature:

upstream raw materials:

5,6-dimethyl-[8]quinolylamine

glycerol

1,10-Phenanthroline

1,3,5-benzenetriacetic acid

Downstream raw materials:

{Cu(5,6-dimethyl-1,10-phenanthroline)(phenylacetylene)}⁽¹⁺⁾

fac-[Re(CO)3(2,6-dimethylphenylisocyanide)(5,6-dimethyl-1,10-phenanthroline)]PF₆

μ-O,O'-benzoatodi-μ-C,C-carbonyl-di-C,C-carbonylbis(5,6-dimethyl-1,10-phenanthroline)diruthenium(I) hexafluorophosphate

Refernces

• 1、 -. "Production method of a cross-coupling compound from an alkyl halide and an organoboron compound". . . Retrieved 2008/06/13.