2-Propylisonicotinonitrile

Base Information

• Chemical Name: 2-Propylisonicotinonitrile
• CAS No.: 33744-19-3
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• Hs Code.: 2933399090
• European Community (EC) Number: 251-665-0
• DSSTox Substance ID: DTXSID30187419
• Nikkaji Number: J308.535J
• Wikidata: Q83059126
• Mol file: 33744-19-3.mol

Synonyms:2-Propylisonicotinonitrile;33744-19-3;2-propylpyridine-4-carbonitrile;EINECS 251-665-0;SCHEMBL7219031;2-Propyl-4-pyridinecarbonitrile;DTXSID30187419;MFCD09834373;AKOS006329386;LS-07470;CS-0451319

Chemical Property of 2-Propylisonicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0673mmHg at 25°C
• Boiling Point: 230°Cat760mmHg
• PKA: 2.60±0.10(Predicted)
• Flash Point: 91.8°C
• PSA: 36.68000
• Density: 1.02g/cm³
• LogP: 1.90578
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

2-Propylisonicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CC(=C1)C#N
• Uses: Derivatives of 2-Propylisonicotinonitrile as HIV-1 protease inhibitors.

Technology Process of 2-Propylisonicotinonitrile

There total 6 articles about 2-Propylisonicotinonitrile 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: 85.0%

pyridine-4-carbonitrile (100-48-1) + butyric acid (107-92-6) → 2-propylpyridine-4-carbonitrile (33744-19-3)

Guidance literature:

With ammonium persulfate; sulfuric acid; silver nitrate; In water; at 70 ℃; for 0.333333h;

DOI:10.1021/jm500833f

Reference yield: 34.0%

pyridine-4-carbonitrile (100-48-1) + 2-aminopentanoic acid (760-78-1,498-18-0) → 2-propylpyridine-4-carbonitrile (33744-19-3) + 2-butyrylisonicotinonitrile (132854-99-0)

Guidance literature:

pyridine-4-carbonitrile; 2-aminopentanoic acid; With ammonium peroxydisulfate; water; trifluoroacetic acid; In 1,2-dichloro-ethane; at 23 ℃; for 0.0166667h;

With silver nitrate; In 1,2-dichloro-ethane; at 80 ℃; for 24h;

DOI:10.1021/acs.orglett.6b01754

Reference yield:

2-propylpyridine-4-carboxamide (80944-48-5) → 2-propylpyridine-4-carbonitrile (33744-19-3)

Guidance literature:

With phosphorus pentoxide; at 160 - 170 ℃; under 20 - 30 Torr;

upstream raw materials:

2-propylpyridine-4-carboxamide

ethyl 2-propylisonicotinate

2-chloro-6-propyl-isonicotinic acid ethyl ester

pyridine-4-carbonitrile

Downstream raw materials:

4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]aniline

4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenol