2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid

Base Information

Chemical Name:2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid
CAS No.:20227-26-3
Molecular Formula:C15H14N4O4
Molecular Weight:314.301
Hs Code.:
DSSTox Substance ID:DTXSID90350905
Nikkaji Number:J1.498.048B
Wikidata:Q82126983
Mol file:20227-26-3.mol

Synonyms:20227-26-3;N3-Carboxymethyl Lumiflavin;2-(7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid;Lumiflavin-3-acetic Acid;Flavin I;SCHEMBL14176774;DTXSID90350905;FT-0670873

Suppliers and Price of 2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Lumiflavin-3-aceticAcid
10mg
$ 660.00

Medical Isotopes, Inc.
Lumiflavin-3-aceticAcid
2.5 mg
$ 675.00

Total 2 raw suppliers

Chemical Property of 2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid

Chemical Property:

Boiling Point:562.1±60.0 °C(Predicted)
PKA:3.34±0.10(Predicted)
PSA：107.08000
Density:1.52±0.1 g/cm3(Predicted)
LogP:0.34480
Storage Temp.:Hygroscopic, Refrigerator, under inert atmosphere
Solubility.:DMSO (Slightly)
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:314.10150494
Heavy Atom Count:23
Complexity:641

Purity/Quality:

97% ^*data from raw suppliers

Lumiflavin-3-aceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)CC(=O)O)C
Uses Lumiflavin-3-acetic Acid is the acetic acid derivative of Lumiflavin (L473900) used in photochemical induced dynamic nuclear polarization (photo-CIDNP) study of flavoproteins. Lumiflavin-3-acetic Acid is also used in the study riboflavin-binding protein interaction.

Technology Process of 2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid

There total 3 articles about 2-(7,8,10-Trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetic acid 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: 99.0%

: 74178-39-5
(7,8,10-trimethyl-2,4-dioxo-4,10-dihydro-2H-benzo[g]pteridin-3-yl)-acetic acid ethyl ester

: 20227-26-3
(7,8,10-trimethyl-2,4-dioxo-4,10-dihydro-2H-benzo[g]pteridin-3-yl)acetic acid

Guidance literature:: In hydrogenchloride; for 6h; Heating;
DOI:10.1016/S0040-4039(01)00228-3

Reference yield:

: 1088-56-8
lumiflavin

: 20227-26-3
(7,8,10-trimethyl-2,4-dioxo-4,10-dihydro-2H-benzo[g]pteridin-3-yl)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / K₂CO₃ / dimethylformamide / 48 h / 20 °C

2: 99 percent / aq. HCl / 6 h / Heating

With potassium carbonate; In hydrogenchloride; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(01)00228-3