2,3-Dimethylquinoxaline

Base Information

• Chemical Name: 2,3-Dimethylquinoxaline
• CAS No.: 2379-55-7
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 29339980
• European Community (EC) Number: 219-162-0
• NSC Number: 1789
• UNII: 4K2NH2OBE9
• DSSTox Substance ID: DTXSID4062355
• Nikkaji Number: J3.709E
• Wikidata: Q27225674
• ChEMBL ID: CHEMBL67865
• Mol file: 2379-55-7.mol

Synonyms:2,3-Dimethylquinoxaline;2379-55-7;QUINOXALINE, 2,3-DIMETHYL-;NSC 1789;EINECS 219-162-0;quinoxaline,2,3-dimethyl-;BRN 0114832;4K2NH2OBE9;NSC-1789;5-23-07-00267 (Beilstein Handbook Reference);NSC1789;MFCD00006728;2.3-Dimethylquinoxaline;Quinoxaline,3-dimethyl-;2,3-Dimethyl-quinoxaline;UNII-4K2NH2OBE9;CHEMBL67865;SCHEMBL103601;2,3-Dimethylquinoxaline, 97%;DTXSID4062355;2,3-dimethyl-1,4-naphthyridine;CHEBI:132810;HMS1670C11;2,3-Dimethylquinoxaline, >=97%;WLN: T66 BN ENJ C1 D1;STK744139;AKOS003235661;CS-W016201;NCGC00186191-01;NCGC00186191-02;NCGC00186191-03;BS-16229;LS-143026;D0795;FT-0609729;D89719;EN300-215112;AB01324042-02;10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.1;10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.2;A878139;AE-641/00127031;doi:10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.1;doi:10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.2;J-015212;Q27225674;34493-67-9

Chemical Property of 2,3-Dimethylquinoxaline

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 0.0236mmHg at 25°C
• Melting Point: 104-108 °C(lit.)
• Refractive Index: 1.6392 (estimate)
• Boiling Point: 130 °C / 1.5mmHg
• PKA: 1.69±0.48(Predicted)
• Flash Point: 105.3°C
• PSA: 25.78000
• Density: 1.109g/cm³
• LogP: 2.24660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

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

2,3-Dimethylquinoxaline >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Rings
• Canonical SMILES: CC1=NC2=CC=CC=C2N=C1C

Technology Process of 2,3-Dimethylquinoxaline

There total 56 articles about 2,3-Dimethylquinoxaline 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%

dimethylglyoxal (431-03-8) + 1,2-diamino-benzene (95-54-5) → 2,3-dimethylquinoxaline (2379-55-7)

Guidance literature:

With zirconium(IV) chloride; In methanol; at 20 ℃; for 0.0833333h;

DOI:10.1007/s11243-009-9294-9

Reference yield: 96.0%

1,2-diamino-benzene (95-54-5) + 2.3-butanediol (513-85-9) → 2,3-dimethylquinoxaline (2379-55-7)

Guidance literature:

With cesiumhydroxide monohydrate; C₁₇H₁₄Br₂CoN₄; In toluene; at 150 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1039/c8cc02366b

Reference yield: 96.0%

2-nitro-aniline (88-74-4) + 2.3-butanediol (513-85-9) → 2,3-dimethylquinoxaline (2379-55-7)

Guidance literature:

With cesiumhydroxide monohydrate; C₁₇H₁₄Br₂CoN₄; In toluene; at 150 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1039/c8cc02366b

upstream raw materials:

dimethylglyoxal

1,2-diamino-benzene

butane-2,3-dione mono-oxime

2,3-diethynylquinoxaline

Downstream raw materials:

2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline

(cis)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline

3-Chloro-benzenecarboperoxoic acid 1,4-diacetyl-3-hydroxy-2,3-dimethyl-1,2,3,4-tetrahydro-quinoxalin-2-yl ester

C₂₅H₂₃N₃

Refernces

• 1、 Vishweshwar, Peddy,Babu, N. Jagadeesh,Nangia, Ashwini,Mason, Sax A.,Puschmann, Horst,Mondal, Raju,Howard, Judith A. K.. "Variable temperature neutron diffraction analysis of a very short O-H;...O hydrogen bond in 2,3,5,6-pyrazinetetracarboxylic acid dihydrate: Synthon-assisted short Oacid-H...Owater hydrogen bonds in a multicenter array". . p. 9406 - 9416. Retrieved 2004.
• 2、 Scheytza, Holger,Reissig, Hans-Ulrich. "Unexpected decomposition of a monoquarternated 4,4'-bipyridinium dication by disodium dithionite reduction in water". . p. 1057 - 1062. Retrieved 1999.
• 3、 Daglia, Maria,Papetti, Adele,Grisoli, Pietro,Aceti, Camilla,Spini, Valentina,Dacarro, Cesare,Gazzani, Gabriella. "Isolation, identification, and quantification of roasted coffee antibacterial compounds". . p. 10208 - 10213. Retrieved 2007.
• 4、 Singh, Harkesh B.,McWhinnie, William R.,Hamor, Thomas A.,Jones, Richard H.. "Synthesis and Chemistry of 1,3-Dihydrotelluroloquinoxaline and Derivatives: Crystal and Molecular Structure of 1,3-Dihydro-2,2-diiodo-2λ4-telluroloquinoxaline-2,3-Bis(iodomethyl)quinoxaline (1:1)". . p. 23 - 28. Retrieved 1984.
• 5、 Khongkow, Pasarat,Lomlim, Luelak,Nualnoi, Teerapat,Saetang, Jirakrit,Suwanhom, Paptawan,Tipmanee, Varomyalin. "Synthesis, biological evaluation, and in silico studies of new acetylcholinesterase inhibitors based on quinoxaline scaffold". . . Retrieved 2021/08/20.
• 6、 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.