NSC 77674; pih

Base Information

• Chemical Name: NSC 77674; pih
• CAS No.: 737-86-0
• Molecular Formula: C14H14N4O3
• Molecular Weight: 286.29
• DSSTox Substance ID: DTXSID601032630
• Mol file: 737-86-0.mol

Synonyms:NSC 77674; PIH;N-[[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]pyridine-4-carboxamide;DTXSID601032630;BCP30558;pih;PIH - CAS 737-86-0

Chemical Property of NSC 77674; pih

Chemical Property:

• PSA: 107.70000
• Density: 1.35g/cm3
• LogP: 1.13770
• Storage Temp.: +2C to +8C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 286.10659032
• Heavy Atom Count: 21
• Complexity: 371

Purity/Quality:

99%, ^*data from raw suppliers

PyridoxalIsonicotinoylHydrazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=C1O)C=NNC(=O)C2=CC=NC=C2)CO
• Uses: Pyridoxal Isonicotinoyl Hydrazone is a cell-permeable non-toxic iron chelator of the aroyl hydrazone class.

Technology Process of NSC 77674; pih

There total 2 articles about NSC 77674; pih 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: 82.0%

isoniazid (54-85-3,7640-37-1) + pyridoxal hydrochloride (65-22-5) → pyridoxal isonicotinoyl hydrazone (737-86-0)

Guidance literature:

With sodium acetate; In ethanol; water; for 1h; Reflux; Inert atmosphere;

DOI:10.1080/10426507.2010.517583

Reference yield:

→ pyridoxal isonicotinoyl hydrazone (737-86-0)

Guidance literature:

Reference yield: 86.0%

iron(III) chloride hexahydrate (121714-78-1,24290-40-2,58694-80-7,10025-77-1,64333-00-2) + pyridoxal isonicotinoyl hydrazone (737-86-0) → (pyridoxal isonicotinoyl hydrazonato)(pyroxidal isonicotinoyl hydrazonato) iron(III) monohydrate monomethanolate

Guidance literature:

With NaOH; In methanol; dissolution of ligand in a soln. containing NaOH in methanol, addn. of FeCl3*6H2O in methanol; filtn., standing for 24 h, pptn. after 1 h, collection, washing with MeOH/ether and ether, drying in air, elem. anal., elem. anal.;

DOI:10.1016/S0020-1693(00)84538-7

upstream raw materials:

isoniazid

pyridoxal hydrochloride

Refernces

• 1、 Mezey, Reka-?tefana,Máthé, István,Shova, Sergiu,Grecu, Maria-Nicoleta,Ro?u, Tudor. "Synthesis, characterization and antimicrobial activity of copper(II) complexes with hydrazone derived from 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde". . p. 684 - 692. Retrieved 2015.