Quinoxaline-6-carbonyl chloride

Base Information

• Chemical Name: Quinoxaline-6-carbonyl chloride
• CAS No.: 258503-93-4
• Molecular Formula: C9H5ClN2O
• Molecular Weight: 192.605
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50379990
• Wikidata: Q82170018
• Mol file: 258503-93-4.mol

Synonyms:quinoxaline-6-carbonyl chloride;258503-93-4;6-Quinoxalinecarbonyl chloride;quinoxaline-6-carboxylic acid chloride;6-Quinoxalinecarbonylchloride;quinoxaline-6-carbonylchloride;SCHEMBL548655;6-quinoxaline carbonyl chloride;DTXSID50379990;UTEQROVYZDJSOO-UHFFFAOYSA-N;MFCD02682002;AKOS009157897;PS-10754;6-quinoxalinecarbonyl chloride, AldrichCPR;FT-0621313;A877458;J-518999

Chemical Property of Quinoxaline-6-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000246mmHg at 25°C
• Melting Point: 119 °C
• Refractive Index: 1.662
• Boiling Point: 324.4 °C at 760 mmHg
• Flash Point: 150 °C
• PSA: 42.85000
• Density: 1.411g/cm³
• LogP: 2.00880
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.0090405
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

Quinoxaline-6-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=NC=CN=C2C=C1C(=O)Cl

Technology Process of Quinoxaline-6-carbonyl chloride

There total 4 articles about Quinoxaline-6-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: 100.0%

quinoxaline-6-carboxylic acid (6925-00-4) → quinoxaline-6-carbonyl chloride (258503-93-4)

Guidance literature:

With thionyl chloride; for 2h; Heating / reflux;

Reference yield:

2-Methylpentane (107-83-5) + methyl quinoxaline-6-carboxylate (23088-23-5) → quinoxaline-6-carboxylic acid (6925-00-4) + quinoxaline-6-carbonyl chloride (258503-93-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol; water; ethyl acetate;

Reference yield:

3,4-diaminobenzoic acid (619-05-6) → quinoxaline-6-carbonyl chloride (258503-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate

2: SOCl₂

With thionyl chloride; potassium carbonate;

DOI:10.1016/j.bmc.2003.10.025

upstream raw materials:

quinoxaline-6-carboxylic acid

3,4-diaminobenzoic acid

2-Methylpentane

methyl quinoxaline-6-carboxylate

Downstream raw materials:

4-[1-(6-methyl-pyridin-2-yl)-5-quinoxalin-6-yl-1H-[1,2,4]triazol-3-yl]-benzonitrile

2-(6-methylpyridin-2-yl)-1-(quinoxalin-6-yl)ethanone

1-(6-methylpyridin-2-yl)-2-(quinoxalin-6-yl)ethane-1,2-dione

2-(dimethoxymethyl)-5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazole