4-(tert-Butyl)picolinic acid hydrochloride

Base Information

• Chemical Name: 4-(tert-Butyl)picolinic acid hydrochloride
• CAS No.: 123811-75-6
• Molecular Formula: C10H14ClNO2
• Molecular Weight: 215.67666
• European Community (EC) Number: 848-343-2
• Mol file: 123811-75-6.mol

Synonyms:4-(tert-Butyl)picolinic acid hydrochloride;123811-75-6;4-tert-butylpyridine-2-carboxylic acid;hydrochloride;4-tert-butylpyridine-2-carboxylic acid hydrochloride;2-Pyridinecarboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1);SCHEMBL3190585;XPWCKHRFHCBIJA-UHFFFAOYSA-N;YEA81175;MFCD19690370;AKOS025395565;DS-8590;4-(tert-Butyl)picolinicacidhydrochloride;s12181;4-(TERT-BUTYL)PICOLINIC ACID HCL;4-tert-Butylpyridine-2-carboxylic Acid HCl;CS-0154908;EN300-6488854;A890648;4-tert-butyl-pyridine-2-carboxylic acid hydrochloride;Z3244601025

Chemical Property of 4-(tert-Butyl)picolinic acid hydrochloride

Chemical Property:

• PSA: 50.19000
• LogP: 2.87930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

4-(tert-Butyl)picolinicacidhydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NC=C1)C(=O)O.Cl

Technology Process of 4-(tert-Butyl)picolinic acid hydrochloride

There total 2 articles about 4-(tert-Butyl)picolinic acid hydrochloride 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: 73.0%

4-tert-butyl-2-cyanopyridine (42205-73-2) → 4-tert-Butyl-pyridine-2-carboxylic acid; hydrochloride (123811-75-6)

Guidance literature:

With hydrogenchloride; for 24h; Heating;

DOI:10.1021/jo00289a058

Reference yield:

4-tert-butylpyridine N-oxide (23569-17-7) → 4-tert-Butyl-pyridine-2-carboxylic acid; hydrochloride (123811-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylcarbamyl chloride / CH₂Cl₂ / 24 h / Ambient temperature

2: 73 percent / 6 N HCl / 24 h / Heating

With hydrogenchloride; N,N-Dimethylcarbamoyl chloride; In dichloromethane;

DOI:10.1021/jo00289a058

upstream raw materials:

4-tert-butyl-2-cyanopyridine

4-tert-butylpyridine N-oxide

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