1,2,3,4-Tetrahydroquinoxaline - CAS 3476-89-9
Catalog: |
BB022275 |
Product Name: |
1,2,3,4-Tetrahydroquinoxaline |
CAS: |
3476-89-9 |
Synonyms: |
1,2,3,4-tetrahydroquinoxaline |
IUPAC Name: | 1,2,3,4-tetrahydroquinoxaline |
Description: | 1,2,3,4-Tetrahydroquinoxaline (CAS# 3476-89-9) is a reactant that undergoes acceptorless hydrogenation and dehydrogenation in the presence of a molecular iron catalyst. |
Molecular Weight: | 134.18 |
Molecular Formula: | C8H10N2 |
Canonical SMILES: | C1CNC2=CC=CC=C2N1 |
InChI: | InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2 |
InChI Key: | HORKYAIEVBUXGM-UHFFFAOYSA-N |
Boiling Point: | 289 °C at 760 mmHg |
Melting Point: | 92-98 °C |
Purity: | 95 % |
Density: | 1.045 g/cm3 |
Appearance: | White to brown solid, powder, crystals and/or chunks |
MDL: | MFCD00047564 |
LogP: | 1.80000 |
GHS Hazard Statement: | H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264876-A | Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation | 20210528 |
CN-112266364-A | Preparation method of tetrahydroquinoxaline compound | 20201023 |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
US-11065214-B1 | Combination therapies with disulfiram | 20200918 |
CN-111763173-A | Phenethyl imidazole derivative and application thereof | 20200714 |
PMID | Publication Date | Title | Journal |
22222581 | 20120227 | Inter- and intramolecular Mitsunobu reaction and metal complexation study: synthesis of S-amino acids derived chiral 1,2,3,4-tetrahydroquinoxaline, benzo-annulated [9]-N3 peraza, [12]-N4 peraza-macrocycles | Organic & biomolecular chemistry |
21995624 | 20111104 | Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity | Organic letters |
20146533 | 20100304 | Photochemistry of far red responsive tetrahydroquinoxaline-based squaraine dyes | The journal of physical chemistry. A |
21202845 | 20080607 | rac-(2R,3S)-2-Phenyl-3-(3-phenyl-1,2,3,4-tetra-hydro-quinoxalin-2-yl)quinoxaline | Acta crystallographica. Section E, Structure reports online |
21200953 | 20071206 | 2,3-Bis(4-bromo-phen-yl)quinoxaline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 99.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.084398327 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 24.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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