4-(2-THIENYL)BUT-3-EN-2-ONE

The CAS register number of 3-Buten-2-one,4-(2-thienyl)- is 874-83-9. It also can be called as 2-Thienylidenacetone and the IUPAC name about this chemical is (E)-4-thiophen-2-ylbut-3-en-2-one. The molecular formula about this chemical is C₈H₈OS and the molecular weight is 152.21.

Physical properties about 3-Buten-2-one,4-(2-thienyl)- are: (1)ACD/LogP: 1.99; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 45.31 Å²; (5)Index of Refraction: 1.592; (6)Molar Refractivity: 45.18 cm³; (7)Molar Volume: 133.5 cm³; (8)Polarizability: 17.91x10^-24cm³; (9)Surface Tension: 41.1 dyne/cm; (10)Density: 1.14 g/cm³; (11)Flash Point: 118 °C; (12)Enthalpy of Vaporization: 50.97 kJ/mol; (13)Boiling Point: 271.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00643 mmHg at 25 °C.

Preparation: this chemical can be prepared by thiophene-2-carbaldehyde and propan-2-one. This reaction will need reagent of aq. 10percent NaOH and solvent of ethanol. The yield is about 90%.

Uses of 3-Buten-2-one,4-(2-thienyl)-: it can be used to produce 4-thiophen-2-yl-butan-2-one. This reaction will need reagent of NaSeH and solvent of ethanol. The reaction time is 3 hours with reaction temperature of 50 °C. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. When you are using it, avoid contact with skin and eyes and do not breathe vapour. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1sccc1)C
(2)InChI: InChI=1/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
(3)InChIKey: CIMALVIHZVKKPE-SNAWJCMRBP
(4)Std. InChI: InChI=1S/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
(5)Std. InChIKey: CIMALVIHZVKKPE-SNAWJCMRSA-N