5,6,7,8-Tetrahydroquinolin-3-amine

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinolin-3-amine
• CAS No.: 151224-99-6
• Molecular Formula: C₉H₁₂N₂
• Molecular Weight: 148.208
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90442975
• Wikidata: Q82260616
• Mol file: 151224-99-6.mol

Synonyms:5,6,7,8-tetrahydroquinolin-3-amine;151224-99-6;3-amino-5,6,7,8-tetrahydroquinoline;3-Quinolinamine, 5,6,7,8-tetrahydro-;MFCD15527170;3-Quinolinamine,5,6,7,8-tetrahydro-(9CI);SCHEMBL4825796;DTXSID90442975;YAUWAMCOBNCBCD-UHFFFAOYSA-N;AKOS006342492;AS-48411;SY105038;CS-0102099;FT-0697729;EN300-130295;F30818

Chemical Property of 5,6,7,8-Tetrahydroquinolin-3-amine

Chemical Property:

• Boiling Point: 326.1±42.0 °C(Predicted)
• PKA: 7.23±0.20(Predicted)
• PSA: 38.91000
• Density: 1.124±0.06 g/cm3(Predicted)
• LogP: 2.12380
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.100048391
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98.5% ^*data from raw suppliers

5,6,7,8-Tetrahydroquinolin-3-Amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=C(C=N2)N

Technology Process of 5,6,7,8-Tetrahydroquinolin-3-amine

There total 2 articles about 5,6,7,8-Tetrahydroquinolin-3-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: 98.0%

→ 3-Amino-5,6,7,8-tetrahydroquinoline (151224-99-6)

Guidance literature:

Reference yield: 97.0%

5,6,7,8-tetrahydro-3-nitro-quinoline (84531-35-1) → 3-Amino-5,6,7,8-tetrahydroquinoline (151224-99-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 760 Torr; Ambient temperature;

DOI:10.1021/jm9600609

Reference yield:

3-Amino-5,6,7,8-tetrahydroquinoline (151224-99-6) → 3,4-diamino-5,6,7,8-tetrahydroquinoline (151224-98-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 95 percent / Et₃N / CH₂Cl₂ / 0.33 h / Ambient temperature

2: 99 percent / 3-(chloroperoxy)benzoic acid / CH₂Cl₂ / 0.75 h / Ambient temperature

3: fuming HNO₃ / 5 h / 55 °C

4: aq. NH₃ / 2 h / 60 °C

5: 86 percent / H₂ / Raney Ni / methanol / 760 Torr / Ambient temperature

With ammonium hydroxide; hydrogen; nitric acid; triethylamine; 3-chloro-benzenecarboperoxoic acid; nickel; In methanol; dichloromethane;

DOI:10.1021/jm9600609

upstream raw materials:

5,6,7,8-tetrahydro-3-nitro-quinoline

Downstream raw materials:

3,4-diamino-5,6,7,8-tetrahydroquinoline

Refernces

• 1、 Takada, Susumu,Sasatani, Takashi,Chomei, Nobuo,Adachi, Makoto,Fujishita, Toshio,Eigyo, Masami,Murata, Shunji,Kawasaki, Kazuo,Matsushita, Akira. "Synthesis and structure-activity relationships of fused imidazopyridines: A new series of benzodiazepine receptor ligands". . p. 2844 - 2851. Retrieved 2007/10/03.