Quinoxidine

Base Information

• Chemical Name: Quinoxidine
• CAS No.: 10103-89-6
• Molecular Formula: C14H14 N2 O6
• Molecular Weight: 306.275
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70143690
• Nikkaji Number: J8.980J
• Wikidata: Q83007666
• ChEMBL ID: CHEMBL1439942
• Mol file: 10103-89-6.mol

Synonyms:2,3-bis(acetyloxymethyl)quinoxaline 1,4-dioxide;quinoxidine

Chemical Property of Quinoxidine

Chemical Property:

• Melting Point: 175-176 °C
• Boiling Point: °Cat760mmHg
• PKA: 2.38±0.30(Predicted)
• Flash Point: °C
• PSA: 103.52000
• Density: g/cm³
• LogP: 1.82300
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 306.08518617
• Heavy Atom Count: 22
• Complexity: 472

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Bis[(acetyloxy)methyl]-1-oxoquinoxalin-1-ium-4(1H)-olate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])COC(=O)C
• Uses: 2,3-Bis[(acetyloxy)methyl]-1-oxoquinoxalin-1-ium-4(1H)-olate is an antibiotic.

Technology Process of Quinoxidine

There total 7 articles about Quinoxidine 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: 85.0%

2,3-bis(bromomethyl)quinoxaline 1,4-di-N-oxide (18080-67-6) + acetic acid (64-19-7,77671-22-8) → 2,3-bis(acetoxymethyl)-quinoxaline-1,4-di-N-oxide (10103-89-6)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In chloroform; water; at 56 ℃; for 20h;

DOI:10.1007/BF01166314

Reference yield: 78.0%

2,3-bis(bromomethyl)quinoxaline 1,4-di-N-oxide (18080-67-6) + potassium acetate (127-08-2) → 2,3-bis(acetoxymethyl)-quinoxaline-1,4-di-N-oxide (10103-89-6)

Guidance literature:

In dimethyl sulfoxide; Heating;

Reference yield:

benzofurazan oxide (480-96-6,68100-26-5) → 2,3-bis(acetoxymethyl)-quinoxaline-1,4-di-N-oxide (10103-89-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / pyrrolidine / acetonitrile / Heating

2: 85 percent / Br₂ / ethyl acetate / Heating

3: 78 percent / dimethylsulfoxide / Heating

With pyrrolidine; bromine; In dimethyl sulfoxide; ethyl acetate; acetonitrile;

upstream raw materials:

2,3-bis(bromomethyl)quinoxaline 1,4-di-N-oxide

silver(I) acetate

potassium acetate

acetic acid

Downstream raw materials:

2,3-dibenzoylphenazine

dioxidine

Refernces

• 1、 Fridman, I. A.,Nikonova, I. V.,Koldobskii, G. I.. "SYNTHESIS OF ETHERS AND ESTERS OF 1,4-DI-N-OXIDE OF 2,3-BIS(HYDROXYMETHYL)QUINOXALINE UNDER CONDITIONS OF INTERFACIAL CATALYSIS". . p. 713 - 717. Retrieved 1994.