Nicotinic acid 4-formyl-phenyl ester

Base Information

• Chemical Name: Nicotinic acid 4-formyl-phenyl ester
• CAS No.: 15131-72-3
• Molecular Formula: C13H9 N O3
• Molecular Weight: 227.219
• DSSTox Substance ID: DTXSID20358151
• Wikidata: Q82138490
• ChEMBL ID: CHEMBL1410818
• Mol file: 15131-72-3.mol

Synonyms:nicotinic acid 4-formyl-phenyl ester;15131-72-3;4-formylphenyl pyridine-3-carboxylate;(4-formylphenyl) pyridine-3-carboxylate;MLS000684236;SMR000268049;3-Pyridinecarboxylic acid, 4-formylphenyl ester;4-formylphenyl nicotinate;Opera_ID_1141;4-nicotinoyloxybenzaldehyde;CBMicro_031173;MixCom6_001477;Oprea1_595269;Oprea1_684402;CHEMBL1410818;DTXSID20358151;AKOS000115354;BIM-0031046.P001;EN300-01144;Z56827040

Chemical Property of Nicotinic acid 4-formyl-phenyl ester

Chemical Property:

• Vapor Pressure: 7.97E-07mmHg at 25°C
• Boiling Point: 406.7°Cat760mmHg
• Flash Point: 199.8°C
• Density: 1.278g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 227.058243149
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

NICOTINIC ACID 4-FORMYL-PHENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=O

Technology Process of Nicotinic acid 4-formyl-phenyl ester

There total 2 articles about Nicotinic acid 4-formyl-phenyl ester 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: 77.0%

3-pyridinecarbonyl chloride (10400-19-8) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-formylphenyl-3-pyridinecarboxylate (15131-72-3)

Guidance literature:

With triethylamine; In acetone; at 60 ℃; for 2h; Cooling with ice;

Reference yield:

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-formylphenyl-3-pyridinecarboxylate (15131-72-3)

Guidance literature:

With pyridine;

Reference yield: 78.0%

4-formylphenyl-3-pyridinecarboxylate (15131-72-3) + 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) → 4-[(Z)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]phenyl pyridine-3-carboxylate

Guidance literature:

With acetic acid; In methanol; for 1h; Reflux;

DOI:10.1134/S1070363220080095

upstream raw materials:

pyridine-3-carbonyl chloride hydrochloride

4-hydroxy-benzaldehyde

3-pyridinecarbonyl chloride

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