6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 5782-69-4
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.19
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40441998
• Nikkaji Number: J1.259.513A
• Wikidata: Q82259037
• Mol file: 5782-69-4.mol

Synonyms:5782-69-4;6-isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;3-Cyano-6-isopropyl-2-hydroxypyridine;6-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile;2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile;2-hydroxy-6-isopropylnicotinonitrile;6-Isopropyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile;2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile;SCHEMBL531211;DTXSID40441998;XQEKXIYVPKTHAB-UHFFFAOYSA-N;1,2-Dihydro-6-(1-methylethyl)-2-oxo-3-Pyridinecarbonitrile;MFCD14581657;AKOS005073598;AT21846;MD-0713;SB53911;3-Cyano-6-isopropyl-2(1H)-pyridinone;FT-0681712;EN300-86429;A18926;2-hydroxy-6-(propan-2-yl)pyridine-3-carbonitrile;J-518823;1,2-Dihydro-2-oxo-6-isopropylpyridine-3-carbonitrile;6-Isopropyl-2-oxo1,2-dihydro-pyridine-3-carbonitrile;6-Isopropyl-2-oxo 1,2-dihydro-pyridine-3-carbonitrile;Z3242012011

Chemical Property of 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Melting Point: 203-204 °C(Solv: water (7732-18-5))
• Boiling Point: 342.5±35.0 °C(Predicted)
• PKA: 8.83±0.10(Predicted)
• PSA: 56.65000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.36998
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

6-Isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

There total 21 articles about 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 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: 90.0%

5-isopropyl-2,6,6-tricyano-2,4-hexadienamide ammonium salt → 6-isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (5782-69-4)

Guidance literature:

With hydrogenchloride; In water; Heating;

DOI:10.1021/jo991121o

Reference yield: 76.0%

(Z)-1-Amino-4-methyl-pent-1-en-3-one (88785-54-0) + malononitrile (109-77-3) → 6-isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (5782-69-4)

Guidance literature:

In ethanol; at 80 ℃; for 120h;

DOI:10.1021/jo991121o

Reference yield: 68.0%

4-methyl-3-oxo-pentanal; sodium enolate (55793-14-1) + cyanoacetic acid amide (107-91-5) → 6-isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (5782-69-4)

Guidance literature:

4-methyl-3-oxo-pentanal; sodium enolate; cyanoacetic acid amide; In water; at 20 ℃; for 0.166667h;

With piperdinium acetate; In water; for 2h; Heating / reflux;

upstream raw materials:

1,1-diethoxy-4-methyl-pentan-3-one

cyanoacetic acid amide

(E)-isopropyl 2-chlorovinyl ketone

5-Cyano-2-isopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

Downstream raw materials:

2-hydroxy-6-isopropyl-nicotinic acid

2-chloro-6-isopropyl-nicotinic acid ethyl ester

6-isopropyl-pyridin-2-ol

6-isopropylnicotinonitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 5782-69-4 3-Pyridinecarbonitrile,1,2-dihydro-6-(1-methylethyl)-2-oxo-(9CI)

Send

Send

Metric Ton KG G Pound L ML

Send

Send