2-Methylquinoxaline

Base Information

• Chemical Name: 2-Methylquinoxaline
• CAS No.: 7251-61-8
• Molecular Formula: C9H8N2
• Molecular Weight: 144.176
• Hs Code.: 29339900
• European Community (EC) Number: 230-664-9,265-246-5
• NSC Number: 65587
• UNII: 03VU31MV6J
• DSSTox Substance ID: DTXSID50222831
• Nikkaji Number: J84.970G
• Wikidata: Q27225675
• ChEMBL ID: CHEMBL3287983
• Mol file: 7251-61-8.mol

Synonyms:2-methylquinoxaline

Chemical Property of 2-Methylquinoxaline

Chemical Property:

• Appearance/Colour: dark red to brown liquid.
• Vapor Pressure: 0.0488mmHg at 25°C
• Melting Point: 180.5°C
• Refractive Index: n20/D 1.613(lit.)
• Boiling Point: 243.9 °C at 760 mmHg
• PKA: 1.32±0.30(Predicted)
• Flash Point: 107.2 °C
• PSA: 25.78000
• Density: 1.141 g/cm³
• LogP: 1.93820
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: miscible
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Methylquinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2N=C1

Technology Process of 2-Methylquinoxaline

There total 55 articles about 2-Methylquinoxaline 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%

2-methyl-1,2,3,4-tetrahydroquinoxaline (6640-55-7,24463-30-7,24463-31-8,49849-47-0) → 2-methylquinoxaline (7251-61-8)

Guidance literature:

With 1,10-Phenanthroline; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium tert-butylate; oxygen; nickel dibromide; In tert-Amyl alcohol; at 95 ℃; for 48h;

DOI:10.1021/acs.orglett.0c02271

Reference yield: 96.0%

propylene glycol (57-55-6,63625-56-9) + 1,2-diamino-benzene (95-54-5) → 2-methylquinoxaline (7251-61-8)

Guidance literature:

With cesiumhydroxide monohydrate; In toluene; at 150 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.catcom.2020.105927

Reference yield: 95.0%

1,2-diamino-benzene (95-54-5) + 2-oxopropanal (78-98-8) → 2-methylquinoxaline (7251-61-8)

Guidance literature:

In water; for 0.0333333h; microwave irradiation;

DOI:10.1016/S0040-4039(02)02007-5

upstream raw materials:

2-chloro-3-methylquinoxaline

1,2-diamino-benzene

propanone 1-oxime

2-oxopropanal

Downstream raw materials:

(E)-2-(4-methoxystyryl)quinoxaline

2-(2-hydroxy-3,3,3-trichlorpropyl)-chinoxalin

2-methyl-decahydro-quinoxaline

Quinoxaline-2-carboxaldehyde

Refernces

• 1、 Fedoronko, Michal,Temkovic, Peter,Mihalov, Vincent,Tvaroska, Igor. "KINETICS AND MECHANISM OF THE ACID-CATALYZED REACTIONS OF METHYLATED TRIOSES". . p. 51 - 62. Retrieved 1980.
• 2、 Sun, Kangkang,Li, Dandan,Lu, Guo-Ping,Cai, Chun. "Hydrogen Auto-transfer Synthesis of Quinoxalines from o-Nitroanilines and Biomass-based Diols Catalyzed by MOF-derived N,P Co-doped Cobalt Catalysts". . p. 373 - 381. Retrieved 2020/12/09.
• 3、 Chun, Simin,Hong, Junhwa,Hong, Suckchang,Lee, Seok Beom,Oh, Dong-Chan,Putta, Ramachandra Reddy. "Iron-catalyzed one-pot synthesis of quinoxalines: Transfer hydrogenative condensation of 2-nitroanilines with vicinal diols". . p. 18225 - 18230. Retrieved 2021/06/03.