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Name: A-PBT
CAS: 513236-77-3
IUPAC: 2-(pyrrolidin-1-yl)-1-(thiophen-2-yl)butan-1-one

a-pbt is very close and similar to α-PVP as well as Pv-8 known by 1-pentanone, 1-phenyl-2-(1-pyrrolidinyl), 1-Phenyl-2-(1-pyrrolidinyl)-1-pentanon, 1-Phenyl-2-(1-pyrrolidinyl)-1-pentanone, 1-Phényl-2-(1-pyrrolidinyl)-1-pentanone, 1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one, and 2pyrrolidin-1-yl-1-phenylpentan-1-one with a-pbt being simply its chain-extended homologue. It is often referred to as highly developed research compound.

The molecular formula is C17H26ClNO. The compound is an off-white crystal solid with a purity of ≥98%. The chemical compound should be stored at -20°C which will ensure stability for two years.

Research on a-pbt and Pv-8 crystal was conducted by ACD/Labs’ and US Environmental Protection Agency’s EPISuite. Properties that were predicted by ACD/Labs showed the same as with PV-8 being 2 #H bond acceptors, 5 #Freely rotating bonds, a flash point of 119.0±12.5 °C, a boiling point of 340.8±25.0 °C at 760 mmHg, and an index of refraction at 1.538 with a surface tension of 40.0±3.0 dyne/cm,.

Properties that were predicted by the US Environmental Protection Agency’s EPISuite showed the melting point at 96.11, boiling point at 326.57, and the vapor pressure estimations at 9.63E-005. The report also showed water solubility at 25 deg C (mg/L): 139.4.