N-Isopropyl-3-formyl-2(1H)-pyridinethione

Base Information

• Chemical Name: N-Isopropyl-3-formyl-2(1H)-pyridinethione
• CAS No.: 63254-06-8
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.2547
• DSSTox Substance ID: DTXSID20212643
• Wikidata: Q83087795

Synonyms:63254-06-8;N-Isopropyl-3-formyl-2(1H)-pyridinethione;1-isopropyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde;1-propan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde;1-(propan-2-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbaldehyde;SCHEMBL5691788;DTXSID20212643;LNYFKUYQBQFYKS-UHFFFAOYSA-N;AKOS006229726;3-Formyl-1-isopropyl-2(1H)-pyridinethione;AE-411/41415624

Chemical Property of N-Isopropyl-3-formyl-2(1H)-pyridinethione

Chemical Property:

• Vapor Pressure: 0.00429mmHg at 25°C
• Boiling Point: 278.3°Cat760mmHg
• Flash Point: 122.1°C
• PSA: 54.09000
• Density: 1.16g/cm³
• LogP: 2.61100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=CC=C(C1=S)C=O

Technology Process of N-Isopropyl-3-formyl-2(1H)-pyridinethione

There total 1 articles about N-Isopropyl-3-formyl-2(1H)-pyridinethione 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:

→ 3-formyl-1-isopropyl-2(1H)-pyridinethione (63254-06-8)

Guidance literature:

Glutacondialdehyd, i-Propylisothiocyanat;

DOI:10.1016/0040-4020(77)80116-6

Reference yield: 97.0%

3-formyl-1-isopropyl-2(1H)-pyridinethione (63254-06-8) + acetophenone (98-86-2) → 3-Hydroxy-3-(1-isopropyl-2-thioxo-1,2-dihydro-pyridin-3-yl)-1-phenyl-propan-1-one (107113-79-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 12h;

Reference yield: 90.0%

3-formyl-1-isopropyl-2(1H)-pyridinethione (63254-06-8) + 4-cyanophenyl methyl ketone (1443-80-7) → 4-[3-Hydroxy-3-(1-isopropyl-2-thioxo-1,2-dihydro-pyridin-3-yl)-propionyl]-benzonitrile (107113-85-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 1h;

Downstream raw materials:

3-(1-hydroxy-2-methyl-3-oxo-3-(4-chlorophenyl))propyl-1-isopropyl-2(1H)-pyridinethione

4-[3-Hydroxy-3-(1-isopropyl-2-thioxo-1,2-dihydro-pyridin-3-yl)-propionyl]-benzonitrile

1-isopropyl-3-formyl-2(1H)-pyridone

3-Hydroxy-3-(1-isopropyl-2-thioxo-1,2-dihydro-pyridin-3-yl)-1-phenyl-propan-1-one

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