3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride

Base Information

• Chemical Name: 3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride
• CAS No.: 104077-15-8
• Molecular Formula: C12H11 Cl N2 O4
• Molecular Weight: 282.683
• Hs Code.: 2933990090
• European Community (EC) Number: 808-683-4
• DSSTox Substance ID: DTXSID70908781
• Nikkaji Number: J919.059G
• Wikidata: Q82878246
• Mol file: 104077-15-8.mol

Synonyms:3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride;DMEQ-COCl

Chemical Property of 3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 2.02E-08mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 228.2°C
• PSA: 70.42000
• Density: 1.42g/cm³
• LogP: 1.32970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 282.0407345
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)C(=O)Cl)OC)OC
• Uses: 6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carbonyl Chloride is a reactive oxygen/reactive nitrogen species and an important contributor to nitrosative stress and several diseases.

Technology Process of 3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride

There total 4 articles about 3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride 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:

4-amino-5-nitroveratrol (7595-31-5) → 6,7-Dimethoxy-1-methyl-2-oxo-1H-quinoxaline-3-carbonyl chloride (104077-15-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 96 percent / NaH / dimethylformamide / 0-5 deg C, 10 min; 0-5 deg C, 1 h; RT, 1 h

2: 84 percent / H₂ / 10 percent Pd/C / ethanol / 4 h / Ambient temperature

3: 81 percent / 0.5 M HCl / Heating

4: thionyl chloride / Heating

With hydrogenchloride; thionyl chloride; hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/0040-4020(95)00731-M

Reference yield:

N-methyl-2-nitro-4,5-dimethoxyaniline (4496-11-1) → 6,7-Dimethoxy-1-methyl-2-oxo-1H-quinoxaline-3-carbonyl chloride (104077-15-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / H₂ / 10 percent Pd/C / ethanol / 4 h / Ambient temperature

2: 81 percent / 0.5 M HCl / Heating

3: thionyl chloride / Heating

With hydrogenchloride; thionyl chloride; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/0040-4020(95)00731-M

Reference yield:

6,7-dimethoxy-1-methyl-2(1H)-oxoquinoxaline-3-carboxylic acid (1222-43-1) → 6,7-Dimethoxy-1-methyl-2-oxo-1H-quinoxaline-3-carbonyl chloride (104077-15-8)

Guidance literature:

With thionyl chloride; Yield given; Heating;

DOI:10.1016/0040-4020(95)00731-M

upstream raw materials:

6,7-dimethoxy-1-methyl-2(1H)-oxoquinoxaline-3-carboxylic acid

4-amino-5-nitroveratrol

N-methyl-2-nitro-4,5-dimethoxyaniline

Downstream raw materials:

6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid 4-(3,5-dioxo-3,5-dihydro-[1,2,4]triazol-4-yl)-benzyl ester

6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid 4-(3,5-dioxo-[1,2,4]triazolidin-4-yl)-benzyl ester

Refernces