Mequidox

Base Information

• Chemical Name: Mequidox
• CAS No.: 16915-79-0
• Molecular Formula: C10H10N2O3
• Molecular Weight: 206.07
• Hs Code.: 2933990090
• NSC Number: 352521
• UNII: 4UV6363I81
• DSSTox Substance ID: DTXSID30168667
• Nikkaji Number: J9.059J
• Wikidata: Q27260533
• NCI Thesaurus Code: C90977
• ChEMBL ID: CHEMBL2105178
• Mol file: 16915-79-0.mol

Synonyms:MEQUIDOX;16915-79-0;2-(Hydroxymethyl)-3-methylquinoxaline 1,4-dioxide;GS-7443;3-Methyl-2-quinoxalinemethanol 1,4-dioxide;2-Quinoxalinemethanol, 3-methyl-, 1,4-dioxide;NSC-352521;GS 7443;(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanol;NSC352521;3-Methyl-2-quinoxalinylmethanol N(sup1),N(sup4)-dioxide;MEQUIDOX [USAN];MEQUIDOX [INN];Mequidox [USAN:INN];SCHEMBL193980;CHEMBL2105178;UNII-4UV6363I81;DTXSID30168667;MZRHTYDFTZJMLV-UHFFFAOYSA-N;MEQUINDOX[2-ACETYL-3-METHYLQUINOXALINEDIUM-1,4-DIOLATE];2-Quinoxalinemethanol, 1,4-dioxide;AKOS015901623;AKOS016013793;4UV6363I81;NSC 352521;3-Methyl-2-chinoxalinmethanol 1,4-dioxid;CS-0447818;FT-0737493;2-hyroxymethyl-3-methylquinoxaline-1,4-dioxide;2-hydroxymethyl-3-methylquinoxaline-1,4-dioxide;2-(Hydroxymethyl)-3-methylquinoxaline1,4-dioxide;2-(Hydroxymethyl)-3-methylquinoxaline N,N'-dioxide;2-(Hydroxymethyl)-3-methylquinoxaline N, N'-dioxide;Q27260533;(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)methanol;2-(Hydroxymethyl)-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate;MEQUINDOX [2-ACETYL-3-METHYLQUINOXALINEDIUM-1,4-DIOLATE];2-(HYDROXYMETHYL)-3-METHYLQUINOXALINE-1,4-DIIUM-1,4-BIS(OLATE);2-(Hydroxymethyl)-3-methyl-1.lambda.~5~,4.lambda.~5~-quinoxaline-1,4-diol

Chemical Property of Mequidox

Chemical Property:

• Melting Point: 182-184 °C
• Boiling Point: 491.4±55.0 °C(Predicted)
• PKA: 11.35±0.10(Predicted)
• PSA: 71.15000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 1.49750
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

(3-METHYL-4-OXIDO-1-OXOQUINOXALIN-1-IUM-2-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])CO
• Uses: Antibacterial.

Technology Process of Mequidox

There total 7 articles about Mequidox 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:

2-acetoxymethyl-3-methyl-quinoxaline 1,4-dioxide (10103-90-9) → 2-hydroxymethyl-3-methylquinoxaline-di-N-oxide (16915-79-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1042/bj0630455

Reference yield:

2,3-dimethylquinoxaline (2379-55-7) → 2-hydroxymethyl-3-methylquinoxaline-di-N-oxide (16915-79-0)

Guidance literature:

Multi-step reaction with 5 steps

1: SeO₂; ethyl acetate

2: aqueous KOH

4: peroxyacetic acid; acetic acid

5: aqueous HCl

With hydrogenchloride; peracetic acid; potassium hydroxide; selenium(IV) oxide; acetic acid; ethyl acetate;

DOI:10.1042/bj0630455

Reference yield:

<2-hydroxymethyl-3-methylquinoxaline> (7044-17-9) → 2-hydroxymethyl-3-methylquinoxaline-di-N-oxide (16915-79-0)

Guidance literature:

Multi-step reaction with 3 steps

2: peroxyacetic acid; acetic acid

3: aqueous HCl

With hydrogenchloride; peracetic acid; acetic acid;

DOI:10.1042/bj0630455

upstream raw materials:

2-acetoxymethyl-3-methyl-quinoxaline 1,4-dioxide

2,3-dimethylquinoxaline

<2-hydroxymethyl-3-methylquinoxaline>

3-methylquinoxaline-2-carbaldehyde