(2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one | 131316-13-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one
• 英文别名: (2E)-1-(3-bromophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one；(E)-1-(3-bromophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
• CAS: 131316-13-7
• 化学式: C₁₆H₁₃BrOS
• 分子量: 333.249
• InChiKey: JIIBFLPIODWPEU-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3'-溴苯乙酮 、 4-(甲基巯基)苯甲醛 生成 (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one
  参考文献：
  名称：

  Study on third-order nonlinear optical properties of 4-methylsulfanyl chalcone derivatives using picosecond pulses

  摘要：

  In this paper we present results from the experimental study of third-order nonlinear optical (NLO) properties of three molecules of Br and NO2 substituted chalcone derivatives namely (2E)-1-(4-bromophenyl)-3-[4(methylsulfanyl)phenyl]prop-2-en-1-one (4Br4MSP), (2E)-1-(3-bromophenyl)-3-[4-(methylsulfanyl) phenyl]prop-2-en-1-one (3Br4MSP) and (2E)-3[4(methylsulfanyl) phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (4N4MSP). The NLO properties have been investigated by Z-scan technique using 2 ps laser pulses at 800 nm. The nonlinear refractive indices, nonlinear absorption coefficient, and the magnitude of third-order susceptibility have been determined. The values obtained are of the order of 10(-7) cm(2)/GW, 10(-3) cm/GW and 10(-14) esu respectively. The molecular second hyperpolarizability for the chalcone derivatives is of the order of 10(-32) esu. The coupling factor, excited state cross section, ground state cross section etc. were determined. The optical limiting (OL) property was studied. The results suggest that the nonlinear properties investigated for present chalcones are comparable with some of the reported chalcone derivatives and can be desirable for NLO applications. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.materresbull.2012.06.063

文献信息

• CHALCONE DERIVATIVE COMPOUNDS
  申请人：NIPPON OIL AND FATS COMPANY, LIMITED

  公开号：EP0328669A1

  公开（公告）日：1989-08-23

  Chalcone derivative compounds represented by general formula (I) or (II), wherein R₁ and R₂ each represents a ha­logen atom, a hydroxy group, an amino group, a dimethylamino group, a nitro group, a cyano group, a phenyl group, an acetyl group, an alkyl group containing 1 to 18 carbon atoms or an alkyloxy group containing 1 to 22 carbon atoms, n₁ and n₂ each represents an integer of 0 to 21, and m₁ and m₂ each represents an integer of 0 to 5.

  通式(I)或(II)代表的查耳酮衍生物化合物，其中 R₁ 和 R₂ 各自代表卤素原子、羟基、氨基、二甲基氨基、硝基、氰基、苯基、乙酰基、含 1 至 18 个碳原子的烷基或含 1 至 22 个碳原子的烷氧基，n₁ 和 n₂ 各自代表整数、乙酰基、含 1 至 18 个碳原子的烷基或含 1 至 22 个碳原子的烷氧基，n₁ 和 n₂ 各自代表 0 至 21 的整数，m₁ 和 m₂ 各自代表 0 至 5 的整数。
• Second harmonic chalcone crystal: Synthesis, growth and characterization
  作者：E.D. D’silva、D. Narayan Rao、Reji Philip、Ray J. Butcher、Rajnikant、S.M. Dharmaprakash

  DOI：10.1016/j.physb.2011.03.032

  日期：2011.5

  The novel nonlinear optical chalcone derivative (2E)-3-[4-(methylsulfanyl)phenyl]-1-(3-bromophenyl)prop-2-en-1-one (3Br4MSP) crystals have been grown by slow evaporation technique at ambient temperature. The crystal was subjected to different types of characterization method in order to study its possible application in nonlinear optics. The structure determination of the grown crystal was done by single crystal X-ray diffraction study. The morphology of the crystal is studied. The crystal was subjected to thermal analysis to find its thermal stability. The grown crystals were characterized for their optical transmission and mechanical hardness. The second harmonic generation (SHG) efficiency of the crystal is obtained by classical powdered technique. The laser damage threshold for 3Br4MSP crystal was determined using Q-switched Nd:YAG laser. (C) 2011 Elsevier B.V. All rights reserved.
• Study on third-order nonlinear optical properties of 4-methylsulfanyl chalcone derivatives using picosecond pulses
  作者：E.D. D'silva、G. Krishna Podagatlapalli、S. Venugopal Rao、S.M. Dharmaprakash

  DOI：10.1016/j.materresbull.2012.06.063

  日期：2012.11

  In this paper we present results from the experimental study of third-order nonlinear optical (NLO) properties of three molecules of Br and NO2 substituted chalcone derivatives namely (2E)-1-(4-bromophenyl)-3-[4(methylsulfanyl)phenyl]prop-2-en-1-one (4Br4MSP), (2E)-1-(3-bromophenyl)-3-[4-(methylsulfanyl) phenyl]prop-2-en-1-one (3Br4MSP) and (2E)-3[4(methylsulfanyl) phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (4N4MSP). The NLO properties have been investigated by Z-scan technique using 2 ps laser pulses at 800 nm. The nonlinear refractive indices, nonlinear absorption coefficient, and the magnitude of third-order susceptibility have been determined. The values obtained are of the order of 10(-7) cm(2)/GW, 10(-3) cm/GW and 10(-14) esu respectively. The molecular second hyperpolarizability for the chalcone derivatives is of the order of 10(-32) esu. The coupling factor, excited state cross section, ground state cross section etc. were determined. The optical limiting (OL) property was studied. The results suggest that the nonlinear properties investigated for present chalcones are comparable with some of the reported chalcone derivatives and can be desirable for NLO applications. (c) 2012 Elsevier Ltd. All rights reserved.

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