8-Nitro-7-quinolinecarboxaldehyde

Base Information

• Chemical Name: 8-Nitro-7-quinolinecarboxaldehyde
• CAS No.: 101327-87-1
• Molecular Formula: C10H6N2O3
• Molecular Weight: 202.169
• Hs Code.: 29334900
• European Community (EC) Number: 678-308-5
• DSSTox Substance ID: DTXSID70472154
• Nikkaji Number: J1.134.899H
• Wikidata: Q82300945
• Mol file: 101327-87-1.mol

Synonyms:8-Nitro-7-quinolinecarboxaldehyde;101327-87-1;8-nitroquinoline-7-carbaldehyde;8-Nitroquinoline-7-carboxaldehyde;7-Quinolinecarboxaldehyde, 8-nitro-;MFCD08436438;7-Formyl-8-nitroquinoline;SCHEMBL1011709;8-Nitro-quinoline-7-carbaldehyde;DTXSID70472154;CGYVBVWBGRTQJQ-UHFFFAOYSA-N;AKOS000319912;SB71926;AS-62211;SY106138;BB 0262709;CS-0131621;N0852;F16251

Chemical Property of 8-Nitro-7-quinolinecarboxaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 178.0 to 182.0 °C
• Boiling Point: 401.388oC at 760 mmHg
• PKA: -0.66±0.31(Predicted)
• Flash Point: 196.553oC
• PSA: 75.78000
• Density: 1.441g/cm3
• LogP: 2.47870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.03784206
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

98%,99%, ^*data from raw suppliers

8-Nitro-7-quinolinecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C(C=C2)C=O)[N+](=O)[O-])N=C1

Technology Process of 8-Nitro-7-quinolinecarboxaldehyde

There total 9 articles about 8-Nitro-7-quinolinecarboxaldehyde 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: 90.0%

C13H13N3O2 → 8-nitro-7-quinolinecarboxaldehyde (101327-87-1)

Guidance literature:

With sodium periodate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.tetlet.2017.08.041

Reference yield: 88.0%

7-<β-trans-(N,N-dimethylamino)ethenyl>-8-nitroquinoline (176853-39-7) → 8-nitro-7-quinolinecarboxaldehyde (101327-87-1)

Guidance literature:

With sodium periodate; In tetrahydrofuran; water; at 25 ℃; for 2h;

DOI:10.1021/jo952164h

Reference yield: 85.0%

7-nitromethyl-8-nitroquinolin (101327-83-7) → 8-nitro-7-quinolinecarboxaldehyde (101327-87-1)

Guidance literature:

With KMnO₄,borate buffer;

DOI:10.1016/S0040-4039(00)89200-X

upstream raw materials:

7-Dibromomethyl-8-nitro-quinoline

7-nitromethyl-8-nitroquinolin

7-<β-trans-(N,N-dimethylamino)ethenyl>-8-nitroquinoline

8-nitro-7-methylquinoline

Downstream raw materials:

2-Phenyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide

(3-[1,3]dioxolan-2-yl-4-fluoro-phenyl)-(8-nitro-quinolin-7-yl)-methanol

(3-fluoro-phenyl)-(8-nitro-quinolin-7-yl)-methanone

(8-nitro-quinolin-7-ylmethyl)-phenyl-amine

Refernces

• 1、 Xu, Cheng,Yin, Guodong,Jia, Feng-Cheng,Wu, Yan-Dong,Wu, An-Xin. "Merging Annulation with Ring Deconstruction: Synthesis of (E)-3-(2-Acyl-1 H-benzo[ d]imidazol-4-yl)acrylaldehyde Derivatives via I2/FeCl3-Promoted Dual C(sp3)-H Amination/C-N Bond Cleavage". . p. 2559 - 2564. Retrieved 2021.
• 2、 Riesgo, Elvira C.,Jin, Xiaoqing,Thummel, Randolph P.. "Introduction of benzo[h]quinoline and 1,10-phenanthroline subunits by friedl?nder methodology". . p. 3017 - 3022. Retrieved 2007/10/03.