9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one

Base Information

• Chemical Name: 9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one
• CAS No.: 29176-54-3
• Molecular Formula: C13H9ClN2O
• Molecular Weight: 244.67600
• European Community (EC) Number: 651-834-2
• DSSTox Substance ID: DTXSID60385865
• Nikkaji Number: J390.543H
• Wikidata: Q82178910
• Mol file: 29176-54-3.mol

Synonyms:9-CHLORO-1-METHYL-1,10-PHENANTHROLIN-2(1H)-ONE;29176-54-3;9-chloro-1-methyl-1,10-phenanthrolin-2-one;9-CHLORO-1-METHYL-1,2-DIHYDRO-1,10-PHENANTHROLIN-2-ONE;Oprea1_756843;SCHEMBL1498746;DTXSID60385865;YXXDYYVBJXXVFC-UHFFFAOYSA-N;MFCD00185679;AKOS024264533;LS-09631;EU-0068412;9-Chloro-l-methyl-1,10-phenanthrolin-2(1H)-one;SR-01000402523;9-Chloro-1-methyl-1.10-phenanthroline-2(1H)-one;SR-01000402523-1

Chemical Property of 9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one

Chemical Property:

• PSA: 34.89000
• LogP: 2.74010
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 244.0403406
• Heavy Atom Count: 17
• Complexity: 357

Purity/Quality:

9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=CC2=C1C3=C(C=C2)C=CC(=N3)Cl

Technology Process of 9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one

There total 12 articles about 9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one 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: 80.0%

C13H10ClN2(1+)*C7H7O3S(1-) → 9-chloro-1-methyl-1,10-phenanthroline-2(1H)-one (29176-54-3)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); In water;

DOI:10.1055/a-1679-7161

Reference yield: 73.0%

9-chloro-1-methyl-1,10-phenanthroline hydrogen sulfate (1272970-40-7) → 9-chloro-1-methyl-1,10-phenanthroline-2(1H)-one (29176-54-3)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); In water; at 20 ℃; for 5h; Cooling with ice;

Reference yield: 42.0%

9-Chloro-1-methyl-[1,10]phenanthrolin-1-ium; iodide → 9-chloro-1-methyl-1,10-phenanthroline-2(1H)-one (29176-54-3)

Guidance literature:

With manganese(IV) oxide; In tetrahydrofuran; for 22h; Heating;

DOI:10.3987/com-96-7727

upstream raw materials:

9-chloro-1-methyl-1,10-phenanthrolinium methyl sulfate

1,10-Phenanthroline

2-chloro-[1,10]phenanthroline

1-methyl-1,10-phenanthrolin-2(1H)-one

Downstream raw materials:

2,9-dichloro-[1,10]phenanthroline

2,9-bis(diphenyl-phosphino)-1,10-phenanthroline

(1,10-phenanthroline-2,9-diyl)bis(diphenylphosphine oxide)

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