Methoxatin trimethyl ester

Base Information

Chemical Name:Methoxatin trimethyl ester
CAS No.:74447-88-4
Molecular Formula:C17H12 N2 O8
Molecular Weight:372.291
Hs Code.:
DSSTox Substance ID:DTXSID50225463
Nikkaji Number:J434.362J
Wikidata:Q83104433
Mol file:74447-88-4.mol

Synonyms:Methoxatin trimethyl ester;74447-88-4;PQQ trimethyl ester;Coenzyme PQQ trimethyl ester;PQQ-TME;trimethyl 4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;1H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, trimethyl ester;Trimethyl 4,5-dihydro-4,5-dioxo-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylate;4,5-Dioxo-4,5-dihydro-1H-pyrrol[2,3-f]quinoline-2,7,9-tricarboxylic acid trimethyl ester;trimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;SCHEMBL1992364;DTXSID50225463;Pyrroloquinoline quinone trimethyl;C17H12N2O8;C17-H12-N2-O8;LS-139699;4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid trimethyl ester

Suppliers and Price of Methoxatin trimethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Methoxatin trimethyl ester

Chemical Property:

Vapor Pressure:6.45E-17mmHg at 25°C
Boiling Point:652.7°C at 760 mmHg
Flash Point:348.5°C
PSA：141.72000
Density:1.523g/cm³
LogP:0.81550
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:372.05936535
Heavy Atom Count:27
Complexity:692

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=NC2=C1C3=C(C=C(N3)C(=O)OC)C(=O)C2=O)C(=O)OC

Technology Process of Methoxatin trimethyl ester

There total 1 articles about Methoxatin trimethyl ester 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:

: 38256-25-6
dimethyl (E)-2-oxoglutaconate

: 74447-88-4
trimethyl 4,5-dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 2.) HCl / 1.) CH₂Cl₂, room temp., 12 h; 2.) 12 h, ether

2: 1.) BBr₃; 2.) MeOH, H₂SO₄ (96percent) / 1.) CH₂Cl₂, room temp., 140 h; 2.) reflux, 48 h

3: 93 percent / benzoyl t-butyl nitroxide / methanol; CHCl₃ / 16 h / Ambient temperature

With hydrogenchloride; methanol; benzoyl t-butyl nitroxide; sulfuric acid; boron tribromide; In methanol; chloroform;
DOI:10.1016/S0040-4020(01)87390-7