7-Nitro-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 7-Nitro-1,2,3,4-tetrahydroquinoline
• CAS No.: 30450-62-5
• Molecular Formula: C9H10N2O2
• Molecular Weight: 178.191
• Hs Code.: 2904209090
• European Community (EC) Number: 634-828-4
• DSSTox Substance ID: DTXSID10291260
• Nikkaji Number: J1.603.547E
• Wikidata: Q72496289
• Mol file: 30450-62-5.mol

Synonyms:7-Nitro-1,2,3,4-tetrahydroquinoline;30450-62-5;1,2,3,4-Tetrahydro-7-nitroquinoline;Quinoline, 1,2,3,4-tetrahydro-7-nitro-;7-Nitro-1,2,3,4-tetrahydro quinoline;MFCD00496654;7-Nitro-1,2,3,4-tetrahydro-quinoline;7-nitrotetrahydro-quinoline;MOLYBDENUMHEXAFLUORIDE;SCHEMBL395008;DTXSID10291260;WSWMGHRLUYADNA-UHFFFAOYSA-N;AC-654;BBL102043;STL555842;AKOS005255358;AM90257;CCG-358192;CS-W002636;SB36482;AS-17429;SY021283;FT-0601117;N0955;EN300-61697;A18606;7-Nitro-1,2,3,4-tetrahydroquinoline, AldrichCPR;J-503762;F2189-0169;Z970060864

Chemical Property of 7-Nitro-1,2,3,4-tetrahydroquinoline

Chemical Property:

• Appearance/Colour: Orange crystalline powder
• Vapor Pressure: 0.000234mmHg at 25°C
• Melting Point: 61.0 to 65.0 °C
• Refractive Index: 1.585
• Boiling Point: 325.2 °C at 760 mmHg
• PKA: 3.44±0.20(Predicted)
• Flash Point: 150.5 °C
• PSA: 57.85000
• Density: 1.236 g/cm³
• LogP: 2.61410
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

7-Nitro-1,2,3,4-tetrahydroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2)[N+](=O)[O-])NC1

Technology Process of 7-Nitro-1,2,3,4-tetrahydroquinoline

There total 12 articles about 7-Nitro-1,2,3,4-tetrahydroquinoline 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%

1,2,3,4-tetrahydroisoquinoline (635-46-1) → 7-nitro-1,2,3,4-tetrahydro-quinoline (30450-62-5)

Guidance literature:

With sodium nitrate; sulfuric acid; at 0 - 20 ℃; for 20h;

DOI:10.1007/s00204-021-02981-w

Reference yield: 78.0%

7-nitroquinoline (613-51-4) → 7-nitro-1,2,3,4-tetrahydro-quinoline (30450-62-5)

Guidance literature:

With hydrogen; In toluene; at 120 ℃; for 12h; under 11251.1 Torr; Schlenk technique;

DOI:10.1002/anie.201805467

Reference yield: 67.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) → 5-nitro-1,2,3,4-tetrahydroquinoline (39217-91-9) + 7-nitro-1,2,3,4-tetrahydro-quinoline (30450-62-5)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 25 ℃; for 1h;

DOI:10.1002/ejoc.201001459

upstream raw materials:

1-acetyl-1,2,3,4-tetrahydroquinoline

2-(3-chloro-propyl)-5-nitro-aniline

decahydroquinoline

1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

N-acetyl-7-nitro-1,2,3,4-tetrahydroquinoline

ethyl 7-amino-3, 4-dihydroquinoline-1(2H)-carboxylate

7,8-diaminoquinoline

8-amino-7-nitroquinoline