5,6,7,8-Tetrahydroquinoxalin-5-amine

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinoxalin-5-amine
• CAS No.: 502612-46-6
• Molecular Formula: C8H11N3
• Molecular Weight: 149.19
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00477536
• Mol file: 502612-46-6.mol

Synonyms:5,6,7,8-TETRAHYDROQUINOXALIN-5-AMINE;502612-46-6;5-Quinoxalinamine,5,6,7,8-tetrahydro-(9CI);SCHEMBL1217891;DTXSID00477536;ABSBOMCIPXOKJL-UHFFFAOYSA-N;AKOS006337634;5,6,7,8-tetrahydroquinoxalin-5-ylamine;AS-50202;CS-0155428;FT-0689738;EN300-363198;O11320

Chemical Property of 5,6,7,8-Tetrahydroquinoxalin-5-amine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 269.535°C at 760 mmHg
• Flash Point: 141.001°C
• PSA: 51.80000
• Density: 1.145g/cm³
• LogP: 1.51300
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.095297364
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

5,6,7,8-Tetrahydroquinoxalin-5-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=NC=CN=C2C1)N

Technology Process of 5,6,7,8-Tetrahydroquinoxalin-5-amine

There total 3 articles about 5,6,7,8-Tetrahydroquinoxalin-5-amine 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%

5-azido-5,6,7,8-tetrahydroquinoxaline (528852-08-6) → 5,6,7,8-tetrahydroquinoxalin-5-ylamine (502612-46-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 0.666667h; under 1551.44 Torr;

DOI:10.1021/jo026701r

Reference yield:

(R,S)-5-bromo-5,6,7,8-tetrahydroquinoxaline (528852-07-5) → 5,6,7,8-tetrahydroquinoxalin-5-ylamine (502612-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / sodium azide / dimethylformamide / 2 h / 60 °C

2: 99 percent / H₂ / 10 percent Pd/C / methanol / 0.67 h / 1551.44 Torr

With sodium azide; hydrogen; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jo026701r

Reference yield:

5,6,7,8-tetrahydroquinoxaline (34413-35-9) → 5,6,7,8-tetrahydroquinoxalin-5-ylamine (502612-46-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 17 h / Heating

2: 97 percent / sodium azide / dimethylformamide / 2 h / 60 °C

3: 99 percent / H₂ / 10 percent Pd/C / methanol / 0.67 h / 1551.44 Torr

With N-Bromosuccinimide; sodium azide; hydrogen; dibenzoyl peroxide; palladium on activated charcoal; In methanol; tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo026701r

upstream raw materials:

5-azido-5,6,7,8-tetrahydroquinoxaline

(R,S)-5-bromo-5,6,7,8-tetrahydroquinoxaline

5,6,7,8-tetrahydroquinoxaline

Downstream raw materials:

(S)-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)acetamide