Potassium 4-nitrobenzoate

Base Information

• Chemical Name: Potassium 4-nitrobenzoate
• CAS No.: 15922-01-7
• Molecular Formula: C7H5 N O4 . K
• Molecular Weight: 205.211
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80435871
• Mol file: 15922-01-7.mol

Synonyms:Potassium 4-nitrobenzoate;15922-01-7;4-Nitrobenzoic Acid Potassium Salt;potassium;4-nitrobenzoate;4-NitrobenzoicAcidPotassiumSalt;Potassium4-nitrobenzoate;Benzoic acid, 4-nitro-, potassium salt (1:1);4-Nitrobenzoic acid potassium;SCHEMBL1566326;DTXSID80435871;MFCD00070536;AKOS003051891;AKOS015960507;AS-66201;FT-0693865;N0160;D91651;A883315

Chemical Property of Potassium 4-nitrobenzoate

Chemical Property:

• Boiling Point: 359.1°Cat760mmHg
• Flash Point: 166.5°C
• PSA: 85.95000
• Density: g/cm³
• LogP: 0.48150
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 204.97773909
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

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

4-Nitrobenzoic Acid Potassium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+]

Technology Process of Potassium 4-nitrobenzoate

There total 6 articles about Potassium 4-nitrobenzoate 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: 95.0%

4-nitro-benzoic acid (62-23-7) → potassium 4-nitrobenzoate (15922-01-7)

Guidance literature:

With potassium tert-butylate; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/chem.200900892

Reference yield: 90.0%

p-nitrobenzene iodide (636-98-6) + carbon monoxide (201230-82-2) → potassium 4-nitrobenzoate (15922-01-7)

Guidance literature:

With potassium carbonate; In water; at 40 - 45 ℃; for 1h;

DOI:10.1007/BF00961966

Reference yield: 48.0%

4-nitro-benzaldehyde phenylhydrazone (2829-27-8) → potassium 4-nitrobenzoate (15922-01-7)

Guidance literature:

With potassium trimethylsilonate; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1002/ejoc.201601238

upstream raw materials:

p-nitrobenzene iodide

carbon monoxide

1-methyl-4-nitrobenzene

4-nitrobenzaldehdye

Downstream raw materials:

2,3,4,6-tetramethoxy-ο-(p-nitrobenzoyloxy)acetophenone

p-nitrobenzoic anhydride

4-nitrobenzoyl azide

4-nitro-benzoyl chloride

Refernces

• 1、 Rouhi-Saadabad, Hamed,Akhlaghinia, Batool. "Facile and direct synthesis of symmetrical acid anhydrides using a newly prepared powerful and efficient mixed reagent". . p. 479 - 485. Retrieved 2015/01/30.
• 2、 Goossen, Lukas J.,Linder, Christophe,Rodriguez, Nuria,Lange, Paul P.. "Biaryl and aryl ketone synthesis via Pd-catalyzed decarboxylase coupling of carboxylate salts with aryl triflates". supporting information; experimental part. p. 9336 - 9349. Retrieved 2010/04/03.