5,6,7,8-Tetrahydroquinoxaline

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinoxaline
• CAS No.: 34413-35-9
• Molecular Formula: C8H10N2
• Molecular Weight: 134.181
• Hs Code.: 29339900
• European Community (EC) Number: 252-002-8
• UNII: M153CJ9RA0
• DSSTox Substance ID: DTXSID4047678
• Nikkaji Number: J250.881H
• Wikidata: Q21099099
• Metabolomics Workbench ID: 45916
• ChEMBL ID: CHEMBL3182352
• Mol file: 34413-35-9.mol

Synonyms:5,6,7,8-TETRAHYDROQUINOXALINE;34413-35-9;Cyclohexapyrazine;Quinoxaline, 5,6,7,8-tetrahydro-;FEMA No. 3321;EINECS 252-002-8;MFCD00038078;UNII-M153CJ9RA0;M153CJ9RA0;DTXSID4047678;5.6.7.8-Tetrahydroquinoxaline;5,6,7,8-tetrahydro-quinoxaline;SCHEMBL13444;CHEMBL3182352;DTXCID2027678;FEMA 3321;5,6,7,8- tetrahydroquinoxaline;TETRAHYDRO TERRAZINE 014;CHEBI:179433;Tox21_302592;AKOS015900566;CS-W022273;GS-3073;NCGC00256918-01;SY020997;CAS-34413-35-9;LS-179561;FT-0619806;T1403;5,6,7,8-TETRAHYDROQUINOXALINE [FHFI];5,6,7,8-Tetrahydroquinoxaline, >=97%, FG;EN300-101616;O11321;A822228;Q-100417;Q21099099;Z1255434867

Chemical Property of 5,6,7,8-Tetrahydroquinoxaline

Chemical Property:

• Appearance/Colour: Clear very slightly yellow liquid
• Vapor Pressure: 0.0547mmHg at 25°C
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 241.8 °C at 760 mmHg
• PKA: 2.24±0.20(Predicted)
• Flash Point: 90.6 °C
• PSA: 25.78000
• Density: 1.093 g/cm³
• LogP: 1.35540
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: slightly soluble
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

5,6,7,8-Tetrahydroquinoxaline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC=CN=C2C1

Technology Process of 5,6,7,8-Tetrahydroquinoxaline

There total 3 articles about 5,6,7,8-Tetrahydroquinoxaline 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: 50.0%

(5aS,9aR)-3-Phenyl-5a,6,7,8,9,9a-hexahydro-1H-benzo[b][1,4]diazepine → 5,6,7,8-tetrahydroquinoxaline (34413-35-9)

Guidance literature:

Heating;

DOI:10.1039/c39950002337

Reference yield:

2,3-diethynylquinoxaline (91-19-0) → 1,2,3,4-tetrahydroquinoxaline (3476-89-9) + 5,6,7,8-tetrahydroquinoxaline (34413-35-9)

Guidance literature:

2,3-diethynylquinoxaline; With hydrogen; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In octane; at 120 ℃; for 22h; under 37503.8 Torr;

With water; Overall yield = 95 %Chromat.; chemoselective reaction; Catalytic behavior;

DOI:10.1039/C8SC04610G

Reference yield:

→ 5,6,7,8-tetrahydroquinoxaline (34413-35-9)

Guidance literature:

1,2-Diaminocyclohexan , EtOH , Glyoxal , KOH , O2;

DOI:10.1021/jf60192a010

upstream raw materials:

2,3-diethynylquinoxaline

Downstream raw materials:

2-Benzoyl-5,6,7,8-tetrahydrocyclohexapyrazine

Refernces

• 1、 Ellis, Michael J.,Lloyd, Douglas,McNab, Hamish,Walker, Marion J.. "Gas-phase Pyrolysis of 2,3-Dihydro-1,4-diazepines: Involvement of the Saturated Portion of the Ring in Chemical Reactions and Novel cis-trans Isomerisation of a Fused Ring System". . p. 2337 - 2338. Retrieved 2007/10/02.