27970-50-9

Basic information

• Product Name: 3-N-PENTYL-2,4-PENTANEDIONE
• Synonyms: 3-N-PENTYL-2,4-PENTANEDIONE;3-(N-AMYL)-2,4-PENTANEDIONE;3-ACETYLOCTANONE-2;3-Acetyl-2-octanone~3-n-Amyl-2,4-pentanedione~3-n-Pentylacetylacetone;3-pentylpentane-2,4-dione;3-N-PENTYL-2,4-PENTANEDIONE 98+%;3-Pentyl-2,4-pentadione;3-Pentyl-2,4-pentanedione
• CAS NO: 27970-50-9
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• EINECS: 248-754-1
• Mol File: 27970-50-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 239.9°C (rough estimate)
• Flash Point: 86.8°C
• Appearance: /
• Density: 0.9409 (rough estimate)
• Vapor Pressure: 0.0442mmHg at 25°C
• Refractive Index: 1.4494 (estimate)
• Storage Temp.: 2-8°C
• Water Solubility: 2.401g/L(25 oC)
• CAS DataBase Reference: 3-N-PENTYL-2,4-PENTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-N-PENTYL-2,4-PENTANEDIONE(27970-50-9)
• EPA Substance Registry System: 3-N-PENTYL-2,4-PENTANEDIONE(27970-50-9)

Safety Data

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.
• HazardClass: IRRITANT
• Hazardous Substances Data: 27970-50-9(Hazardous Substances Data)

Usage

Uses

3-(n-Amyl)-2,4-pentanedione is a reagent in the synthesis of series of thiazolidin-4-ones, a HIV-1 reverse transcriptases inhibitor.

InChI:InChI=1/C10H18O2/c1-4-5-6-7-10(8(2)11)9(3)12/h10H,4-7H2,1-3H3

Upstream product

• 16630-91-4 2-methylheptanal 
• 108-24-7 acetic anhydride 
• 7637-07-2 boron trifluoride 
• 111-13-7 hexyl-methyl-ketone 
• 36960-12-0 (E)-2-acetoxy-2-heptene 
• 110-53-2 1-Bromopentane 
• 123-54-6 acetylacetone 
• 628-17-1 amyl iodide 

Relevant articles and documents

Synthesis and Properties of 4,6-Dimethyl-5-pentyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile and 3-Amino-4,6-dimethyl-5-pentylthieno[2,3-b]pyridines

The reaction of 3-pentylpentane-2,4-dione with cyanothioacetamide afforded 4,6-dimethyl-5-pentyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile. Alkylation of the latter led to the formation of 2-alkylsulfanyl-4,6-dimethyl-5-pentylpyridine-3-carbonitriles or 3-amino-4,6-dimethyl-5-pentylthieno[2,3-b]pyridines, depending on the alkylating agent and reaction conditions. The structures of the key compounds were proved by 2D NMR spectroscopy and X-ray analysis. Biological activity of the synthesized compounds was evaluated in silico. Some compounds were experimentally found to stimulate growth of sunflower seedlings.