58235-88-4

Basic information

• Product Name: 2-Propen-1-one, 1-(5-bromo-2-thienyl)-3-(4-nitrophenyl)-
• CAS NO: 58235-88-4
• Molecular Formula: C13H8BrNO3S
• Molecular Weight: 338.181
• Mol File: 58235-88-4.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 2-Propen-1-one, 1-(5-bromo-2-thienyl)-3-(4-nitrophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propen-1-one, 1-(5-bromo-2-thienyl)-3-(4-nitrophenyl)-(58235-88-4)
• EPA Substance Registry System: 2-Propen-1-one, 1-(5-bromo-2-thienyl)-3-(4-nitrophenyl)-(58235-88-4)

Safety Data

• Hazardous Substances Data: 58235-88-4(Hazardous Substances Data)

Upstream product

• 5370-25-2 2-Acetyl-5-bromothiophene 
• 555-16-8 4-nitrobenzaldehdye 
• 15970-41-9 4-(4-bromophenyl)-1,2-diaminoimidazole 

Downstream Products

• 62913-87-5 3-(4-amino-phenyl)-1-(5-bromo-thiophen-2-yl)-propenone 

Relevant articles and documents

Growth, characterization and structural investigation of a novel nonlinear optical crystal

A new potentially useful nonlinear optical (NLO) organic material, 1-(5-bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one (BTNP), has been synthesized and grown as a high-quality single crystal by the slow evaporation technique. The grown crystals were chemically characterized by FT-IR and NMR studies. The grown crystal has been subjected to single-crystal X-ray diffraction studies and cell parameters of the crystal were determined. The title compound crystallizes in triclinic system with a noncentrosymmetric space group P1, with unit cell parameters a = 4.8093(4) ?, b = 5.9428(6) ?, c = 11.5153(11) ?, α = 94.999(4), β = 95.780(3), γ = 96.396(4) and V = 323.79(5) ?3. The thermal stability of the crystal was determined from DSC curve. The grown crystals were characterized for their optical transmission and mechanical hardness. The second harmonic generation (SHG) efficiency of the crystals was obtained by powder technique using Nd:YAG laser and is found to be four times that of urea.

A 1 - (5 - bromo thiophene - 2 - yl) - 3 - (nitrophenyl) - 2 ene - 1 - one crystal and its preparation method

The invention relates to a novel crystal form crystal of 1-(5-bromothiophene-2-yl)-3-(nitrobenzophenone)-2alkene-1-ketone and a preparation method thereof. The novel crystal form crystal is defined by characteristic peaks of a DSC and diffraction angle 2 theta degrees of powder X-ray diffraction patterns, and meanwhile the single-crystal structure is analyzed. P-nitrobenzaldehyde and 2-acetyl-5-bromothiophene are dissolved into a reaction solvent according to a mole ratio, a certain amount of sodium hydroxide solution is dropwise added into the mixture for perform a reaction, suction filtration is carried out on sediment obtained after the reaction, and a filter cake is dried to obtain a dry sample 1; the dry sample 1 is dissolved in an organic solvent at the temperature ranging from 40 DEG C to 50 DEG C, and suction filtration and drying are performed to obtain dry samples 2; a seed crystal with no crack on the crystal surface is selected from the dry samples 2 to be placed into a seed rod, and the seed rod is placed into a solution obtained by dissolving the most remaining dry samples 2 into the organic solvent; after culture is performed for a period of time, the novel crystal form crystal is obtained. The novel crystal form crystal has the higher melting point and SHG coefficient, so that the novel crystal form crystal is wider in application range.

Synthesis of 2-amino-4,5,7-triarylimidazo[1,5-b]pyridazines

The reaction of 4-aryl-1,2-diaminoimidazoles with 1-aryl-2,3-dibromo-3-(4-nitrophenyl)propanones, 2-bromo-1-phenyl-3-(4-chlorophenyl)propenone, and 1,3-diarylpropynones yields 2-amino-4,5,7-triarylimidazo[1,5-b]-pyridazines. The structure of one of these products was determined by x-ray diffraction analysis. 1999 Kluwer Academic/Plenum Publishers.