2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)- supplier

Name
3-(2-THIENYL)-1-(P-TOLYL)-PROP-2-EN-1-ONE
EINECS
CAS No. 6028-89-3
Article Data12
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point 75 °C
Formula C₁₄H₁₂OS
Boiling Point 381.5 °C at 760 mmHg
Molecular Weight 228.315
Flash Point 184.5 °C
Transport Information
Appearance
Safety
Risk Codes R22
Molecular Structure
Hazard Symbols Xn
Synonyms Acrylophenone,4'-methyl-3-(2-thienyl)- (6CI,7CI,8CI);1-(4-Methylphenyl)-3-(thien-2-yl)-2-propen-1-one;3-(2-Thienyl)-1-(p-tolyl)-prop-2-en-1-one;1-(4-Methylphenyl)-3-(thiophen-2-yl)prop-2-en-1-one;4'-Methyl-3-(2-thienyl)acrylophenone;
PSA 45.31000
LogP 3.95260

2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)- Specification

The 2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)-, with the CAS registry number 6028-89-3, is also known as 3-(2-Thienyl)-1-(p-tolyl)-prop-2-en-1-one. This chemical's molecular formula is C₁₄H₁₂OS and molecular weight is 228.31. What's more, its systematic name is 1-(4-Methylphenyl)-3-(thiophen-2-yl)prop-2-en-1-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of 2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1069.98; (6)ACD/BCF (pH 7.4): 1069.98; (7)ACD/KOC (pH 5.5): 5128.92; (8)ACD/KOC (pH 7.4): 5128.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 70.31 cm³; (15)Molar Volume: 195.5 cm³; (16)Polarizability: 27.87×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.167 g/cm³; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 62.98 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 5.04E-06 mmHg at 25°C.

Uses of 2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)-: it can be used to produce 7-thiophen-2-yl-5-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine by heating. It will need reagent solvent dimethylformamide with the reaction time of 10 min. The yield is about 40%.

2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)- can be used to produce 7-thiophen-2-yl-5-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=CC2=CC=CS2
(2)InChI: InChI=1S/C14H12OS/c1-11-4-6-12(7-5-11)14(15)9-8-13-3-2-10-16-13/h2-10H,1H3/b9-8+
(3)InChIKey: OUDDTWPBSXBJOY-CMDGGOBGSA-N

Product Name

3-(2-THIENYL)-1-(P-TOLYL)-PROP-2-EN-1-ONE

2-Propen-1-one,1-(4-methylphenyl)-3-(2-thienyl)- Specification

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