1,10-Phenanthroline-4,7-diol

Base Information

• Chemical Name: 1,10-Phenanthroline-4,7-diol
• CAS No.: 3922-40-5
• Molecular Formula: C12H8N2O2
• Molecular Weight: 212.208
• Hs Code.: 29339900
• European Community (EC) Number: 223-493-6
• DSSTox Substance ID: DTXSID0063234
• Nikkaji Number: J1.971.156K,J217.762E,J2.474.582A
• ChEMBL ID: CHEMBL1623498
• Mol file: 3922-40-5.mol

Synonyms:1,10-Phenanthroline-4,7-diol;3922-40-5;4,7-Dihydroxy-1,10-phenanthroline;1,10-Phenanthroline-4,7(1H,10H)-dione;87330-27-6;1,10-dihydro-1,10-phenanthroline-4,7-dione;CHEMBL1623498;EINECS 223-493-6;1,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dione;MFCD00004975;Oprea1_631021;BIDD:GT0532;1,1-Phenanthroline-4,7-diol;SCHEMBL1073354;DTXSID0063234;SCHEMBL19318056;AMY4630;[1,10]phenanthroline-4,7-diol;4,7-Dioxylato-1,10-phenanthroline;BDBM50401357;STK700952;AKOS000520806;AKOS015918059;CS-W004566;DS-3423;NCGC00246264-01;CS-0203376;D3869;FT-0707691;F71669;A846126;4,7-Dihydroxy-1,10-phenanthroline, Dye content >=30 %;1,10-phenanthroline-4,7-diol4,7-dihydroxy-1,10-phenanthroline

Chemical Property of 1,10-Phenanthroline-4,7-diol

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 3.42E-07mmHg at 25°C
• Melting Point: >300 °C (dec.)(lit.)
• Refractive Index: 1.654
• Boiling Point: 417.9 °C at 760 mmHg
• PKA: 3.81±0.30(Predicted)
• Flash Point: 187.4 °C
• PSA: 66.24000
• Density: 1.371 g/cm³
• LogP: 2.19420
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Insoluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

4,7-Dihydroxy-1,10-phenanthroline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C3=C1C(=O)C=CN3)NC=CC2=O
• Uses: 4,7-Dihydroxy-1,10-phenanthroline is used as a phenanthroline stain. Its iron(II) complex reacts rapidly with dissolved oxygen in aqueous solution, thereby it is utilized for the spectrophotometric determination of dissolved oxygen up to 20 ppm.

Technology Process of 1,10-Phenanthroline-4,7-diol

There total 4 articles about 1,10-Phenanthroline-4,7-diol 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: 86.0%

1,2-bis-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)amino]benzene (503863-91-0) → 1,10-phenanthroline-4,7-diol (3922-40-5)

Guidance literature:

In diphenylether; at 260 ℃; for 0.5h;

DOI:10.1021/ol0608505

Reference yield:

1,2-diamino-benzene (95-54-5) → 1,10-phenanthroline-4,7-diol (3922-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2 h / 100 °C

1.2: 77 percent / 1 h / 100 °C

2.1: 86 percent / diphenyl ether / 0.5 h / 260 °C

In diphenylether;

DOI:10.1021/ol0608505

Reference yield:

1,2-diamino-benzene (95-54-5) → 1,10-phenanthroline-4,7-diol (3922-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2 h / Heating

1.2: 77 percent / Heating

2.1: 86 percent / diphenyl ether / 0.5 h / Heating

In diphenylether;

DOI:10.1021/jo070807a

upstream raw materials:

1,2-bis-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)amino]benzene

1,2-diamino-benzene

Downstream raw materials:

4,7-bis(benzyloxy)-1,10-phenanthroline

1-Benzyl-7-benzyloxy-1H-[1,10]phenanthrolin-4-one

4,7-dibromo-1,10-phenanthroline

4,7-dichloro-1,10-phenanthroline