8,9-Dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

Base Information

• Chemical Name: 8,9-Dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
• CAS No.: 75704-24-4
• Molecular Formula: C11H11Cl2N3O
• Molecular Weight: 272.134
• UNII: SCG2HM6F3D
• Nikkaji Number: J1.386.866B
• Wikipedia: WAY-161503
• Wikidata: Q7946880
• Pharos Ligand ID: MN2RPP6YQJD1
• ChEMBL ID: CHEMBL301466
• Mol file: 75704-24-4.mol

Synonyms:8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one;WAY 161503

Chemical Property of 8,9-Dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Boiling Point: 529oC at 760 mmHg
• Flash Point: 273.7oC
• PSA: 44.37000
• LogP: 3.05750
• Storage Temp.: Desiccate at RT
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 271.0279174
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

98%Min ^*data from raw suppliers

WAY-161503 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN2C(CN1)C(=O)NC3=CC(=C(C=C32)Cl)Cl
• Uses: 8,9-Dichloro-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one is a selective 5-hydroxytryptamine 2C receptor agonist with putative antidepressant like properties. It also blocks and decreases baseline nicotine-induced locomotor activity in rats.

Technology Process of 8,9-Dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

There total 3 articles about 8,9-Dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one 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:

3-Carbobenzyloxy-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]-Quinoxalin-5(6H)-One (276695-08-0) → 8,9-dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one (75704-24-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0960-894X(00)00400-5

Reference yield:

4-(benzyloxy-carbonyl)-2-piperazinecarboxylic acid (934630-06-5,64172-98-1) → 8,9-dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one (75704-24-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / dimethylsulfoxide / 60 °C

2: Fe; AcOH / 60 °C

3: H₂ / 5 percent Pd/C / ethanol

With hydrogen; iron; acetic acid; triethylamine; palladium on activated charcoal; In ethanol; dimethyl sulfoxide; 1: Substitution / 2: reductive cyclization / 3: Hydrogenolysis;

DOI:10.1016/S0960-894X(00)00400-5

Reference yield:

4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)piperazine-2-carboxylic acid (276695-07-9) → 8,9-dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one (75704-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe; AcOH / 60 °C

2: H₂ / 5 percent Pd/C / ethanol

With hydrogen; iron; acetic acid; palladium on activated charcoal; In ethanol; 1: reductive cyclization / 2: Hydrogenolysis;

DOI:10.1016/S0960-894X(00)00400-5

upstream raw materials:

3-Carbobenzyloxy-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]-Quinoxalin-5(6H)-One

4-(benzyloxy-carbonyl)-2-piperazinecarboxylic acid

4-carbobenzyloxy-1-(4,5-dichloro-2-nitrophenyl)piperazine-2-carboxylic acid

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