Quinoline-5-carbohydrazide

Base Information

• Chemical Name: Quinoline-5-carbohydrazide
• CAS No.: 96541-83-2
• Molecular Formula: C₁₀H₉N₃O
• Molecular Weight: 187.201
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60655757
• Wikidata: Q82570014
• Mol file: 96541-83-2.mol

Synonyms:quinoline-5-carbohydrazide;96541-83-2;Quinoline-5-carboxylic acid hydrazide;5-quinolinecarbohydrazide;SCHEMBL16572948;DTXSID60655757;Quinoline-5-carboxylicacidhydrazide;MFCD01063087;AKOS009111415;AB08007;CS-0340704;FT-0695884;EN300-71316;A845607

Chemical Property of Quinoline-5-carbohydrazide

Chemical Property:

• PKA: 11.97±0.30(Predicted)
• PSA: 68.01000
• Density: 1.297±0.06 g/cm3(Predicted)
• LogP: 1.92950
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.074561919
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

Quinoline-5-carboxylic acid hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CC=NC2=C1)C(=O)NN

Technology Process of Quinoline-5-carbohydrazide

There total 3 articles about Quinoline-5-carbohydrazide 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: 46.0%

quinoline-5-carboxylic acid (7250-53-5) → quinoline-5-carbohydrazide (96541-83-2)

Guidance literature:

quinoline-5-carboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrazine hydrate; In tetrahydrofuran; water; at 20 ℃; for 2h;

Reference yield:

quinoline-5-carboxylic acid ethyl ester (98421-25-1) → quinoline-5-carbohydrazide (96541-83-2)

Guidance literature:

With hydrazine hydrate;

Reference yield:

meta-aminobenzoic acid (99-05-8,159139-79-4) → quinoline-5-carbohydrazide (96541-83-2)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄; nitrobenzene; H₃BO₃

2: SOCl₂ / Erwaermen des Reaktionsprodukts mit Aethanol

3: aqueous N₂H₄+H₂O

With thionyl chloride; sulfuric acid; boric acid; hydrazine hydrate; nitrobenzene;

upstream raw materials:

quinoline-5-carboxylic acid ethyl ester

quinoline-5-carboxylic acid

meta-aminobenzoic acid

Downstream raw materials:

N-(quinoline-5-carbonyl)-N'-(toluene-4-sulfonyl)-hydrazine

Refernces

• 1、 Rai, Ganesha,Kenyon, Victor,Jadhav, Ajit,Schultz, Lena,Armstrong, Michelle,Jameson, J. Brian,Hoobler, Eric,Leister, William,Simeonov, Anton,Holman, Theodore R.,Maloney, David J.. "Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1". scheme or table. p. 7392 - 7404. Retrieved 2011/01/12.