2,6-Di-tert-butylisonicotinic acid

Base Information

• Chemical Name: 2,6-Di-tert-butylisonicotinic acid
• CAS No.: 191478-92-9
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.326
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID20406101
• Wikidata: Q82210983
• Mol file: 191478-92-9.mol

Synonyms:2,6-Di-tert-butylisonicotinic acid;191478-92-9;2,6-ditert-butylpyridine-4-carboxylic Acid;2,6-Bis(tert-butyl)isonicotinic acid;2,6-bis(tert-butyl)pyridine-4-carboxylic acid;2,6-di-tert-butylpyridine-4-carboxylic acid;SCHEMBL6674059;2,6-Di-t-butylisonicotinic acid;DTXSID20406101;BWHIWEBPMRLTOT-UHFFFAOYSA-N;2,6-Di-tert-butylisonicotinicacid;STL227736;AKOS000267383;CS-0336652

Chemical Property of 2,6-Di-tert-butylisonicotinic acid

Chemical Property:

• PSA: 50.19000
• LogP: 3.37480
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.157228913
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99.90% ^*data from raw suppliers

2,6-Bis(tert-butyl)isonicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)O

Technology Process of 2,6-Di-tert-butylisonicotinic acid

There total 1 articles about 2,6-Di-tert-butylisonicotinic acid 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:

(2,6-di-tert-butylpyridin-4-yl)methanol → 2,6-di-tert-butylisonicotinic acid (191478-92-9)

Guidance literature:

In isopropyl alcohol; acetone;

Reference yield:

2,6-di-tert-butylisonicotinic acid (191478-92-9) + methyl-2-nitro-4-amino-benzoate (84228-45-5) → 2-nitro-4-[(2',6'-di-tert-butylpyrid-4'-yl)carbamoyl]benzoic acid

Guidance literature:

Reference yield:

2,6-di-tert-butylisonicotinic acid (191478-92-9) + methyl-2-nitro-4-amino-benzoate (84228-45-5) → 2-nitro-4-[(2',6'-di-tert-butylpyrid-4'-yl)carbamoyl]benzoic acid + 2,6-difluoro-4-[(2',6'-di-tert-butylpyrid-4'yl)carbamoyl]benzoic acid

Guidance literature:

Refernces