2-Propylisonicotinic acid

Base Information

• Chemical Name: 2-Propylisonicotinic acid
• CAS No.: 57663-82-8
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60542335
• Wikidata: Q82418959
• Mol file: 57663-82-8.mol

Synonyms:2-PROPYLISONICOTINIC ACID;57663-82-8;2-propylpyridine-4-carboxylic acid;2-PROPYLISONICOTINICACID;SCHEMBL16055756;DTXSID60542335;RNLPLVSFHJFQAS-UHFFFAOYSA-N;MFCD07787612;AKOS006286182;LS-08582;CS-0453743;EN300-205647;G58054;Z1198175147

Chemical Property of 2-Propylisonicotinic acid

Chemical Property:

• Boiling Point: 371.4±30.0 °C(Predicted)
• PKA: 2.01±0.10(Predicted)
• PSA: 50.19000
• Density: 1.143±0.06 g/cm3(Predicted)
• LogP: 1.73230
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

2-propylisonicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CC(=C1)C(=O)O

Technology Process of 2-Propylisonicotinic acid

There total 1 articles about 2-Propylisonicotinic 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: 81.0%

2-propylpyridine-4-carbonitrile (33744-19-3) → 2-propylisonicotinic acid (57663-82-8)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1135/cccc19970672

Reference yield:

2-propylisonicotinic acid (57663-82-8) → N-(3-Chloro-4-hydroxy-phenyl)-2-propyl-isonicotinamide

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene / 1 h / Heating

2: pyridine / acetone / 0.5 h / 10 °C

With pyridine; thionyl chloride; In acetone; benzene;

DOI:10.1135/cccc19970672

Reference yield:

2-propylisonicotinic acid (57663-82-8) → N-(3,5-Dichloro-4-hydroxy-phenyl)-2-propyl-isonicotinamide

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene / 1 h / Heating

2: pyridine / acetone / 0.5 h / 10 °C

With pyridine; thionyl chloride; In acetone; benzene;

DOI:10.1135/cccc19970672

upstream raw materials:

2-propylpyridine-4-carbonitrile

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