乙基3-羟基-5-苯基-2-噻吩羧酸酯 | 2158-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 乙基3-羟基-5-苯基-2-噻吩羧酸酯
• 英文名称: 3-Hydroxy-5-phenyl-thiophen-carbonsaeure-(2)-aethylester
• 英文别名: 3-hydroxy-5-phenyl-thiophene-2-carboxylic acid ethyl ester；3-Hydroxy-5-phenyl-thiophen-2-carbonsaeure-aethylester；Ethyl 3-hydroxy-5-phenylthiophene-2-carboxylate
• CAS: 2158-86-3
• 化学式: C₁₃H₁₂O₃S
• mdl: MFCD08444484
• 分子量: 248.302
• InChiKey: UYGIKZWNROPVTI-UHFFFAOYSA-N

物化性质

• 熔点：
  68 °C(Solv: ethanol (64-17-5))
• 沸点：
  151-152 °C(Press: 0.3 Torr)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  乙基3-羟基-5-苯基-2-噻吩羧酸酯 、 乙酸酐 生成 3-acetoxy-5-phenyl-thiophene-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Scheibler; Frenz, Journal fur praktische Chemie (Leipzig 1954), 1955, vol. <4> 2, p. 127,145

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3-bis-carboxymethylsulfanyl-3-phenyl-propionic acid ethyl ester 在 盐酸 、 乙醇 作用下， 生成 乙基3-羟基-5-苯基-2-噻吩羧酸酯
  参考文献：
  名称：

  Chicxulub impactites: Geochemical clues to the precursor rocks

  摘要：

  Abstract— The 65 Ma Chicxulub impact structure, Mexico, with a diameter of ∼180 km is the focus of geoscientific research because of its link to the mass extinction event at the Cretaceous‐Tertiary (K/T) boundary. Chicxulub, now buried beneath thick post‐impact sediments, is probably one of the best‐preserved terrestrial impact structures known. Because of its inaccessibility, only limited samples on the impact lithologies from a few drill cores are available. We report major element and Sr‐, Nd‐, O‐, and C‐isotopic data for Chicxulub impact‐melt lithologies and basement clasts in impact breccias of drill cores C‐1 and Y‐6, and for melt particles in the Chicxulub ejecta horizon at the K/T boundary in Beloc, Haiti. The melt lithologies with SiO2 ranging from 58 to ∼63 wt% show significant variations in the content of Al, Ca, and the alkalies. In the melt matrix samples, δ13C of the calcite is about −3%o. The δ18O values for the siliceous melt matrices of Y‐6 samples range from 9.9 to 12.4%o. Melt lithologies and the black Haitian glass have rather uniform 87Sr/86Sr ratios (0.7079 to 0.7094); only one lithic fragment displays 87Sr/86Sr of 0.7141. The Sr model ages TSrUR for most lithologies range from 830 to 1833 Ma; unrealistic negative model ages point to an open Rb‐Sr system with loss of Rb in a hydrothermal process. The 143Nd/144Nd ratios for all samples, except one basement clast with 143Nd/144Nd of 0.5121, cluster at 0.5123 to 0.5124. In an ɛNd‐ɛSr diagram, impactites plot in a field delimited by ɛNd of −2 to −6, and ɛSr of 55 to 69. This field is not defined by the basement lithologies described to occur as lithic clasts in impact breccias and Cretaceous sediments. At least one additional intermediate to mafic precursor component is required to explain the data.

  DOI：

  10.1111/j.1945-5100.2000.tb01511.x

文献信息

• Larsson, Erik, Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 3, p. 522 - 526
  作者：Larsson, Erik

  DOI：——

  日期：——
• Fiesselmann; Pfeiffer, Chemische Berichte, 1954, vol. 87, p. 848,855
  作者：Fiesselmann、Pfeiffer

  DOI：——

  日期：——
• LARSSON E., J. PRAKT. CHEM., 1980, 322, NO 3, 522-526
  作者：LARSSON E.

  DOI：——

  日期：——
• Chicxulub impactites: Geochemical clues to the precursor rocks
  作者：Bianca KETTRUP、Alexander DEUTSCH、Markus OSTERMANN、Pierre AGRINIER

  DOI：10.1111/j.1945-5100.2000.tb01511.x

  日期：2000.11

  Abstract— The 65 Ma Chicxulub impact structure, Mexico, with a diameter of ∼180 km is the focus of geoscientific research because of its link to the mass extinction event at the Cretaceous‐Tertiary (K/T) boundary. Chicxulub, now buried beneath thick post‐impact sediments, is probably one of the best‐preserved terrestrial impact structures known. Because of its inaccessibility, only limited samples on the impact lithologies from a few drill cores are available. We report major element and Sr‐, Nd‐, O‐, and C‐isotopic data for Chicxulub impact‐melt lithologies and basement clasts in impact breccias of drill cores C‐1 and Y‐6, and for melt particles in the Chicxulub ejecta horizon at the K/T boundary in Beloc, Haiti. The melt lithologies with SiO2 ranging from 58 to ∼63 wt% show significant variations in the content of Al, Ca, and the alkalies. In the melt matrix samples, δ13C of the calcite is about −3%o. The δ18O values for the siliceous melt matrices of Y‐6 samples range from 9.9 to 12.4%o. Melt lithologies and the black Haitian glass have rather uniform 87Sr/86Sr ratios (0.7079 to 0.7094); only one lithic fragment displays 87Sr/86Sr of 0.7141. The Sr model ages TSrUR for most lithologies range from 830 to 1833 Ma; unrealistic negative model ages point to an open Rb‐Sr system with loss of Rb in a hydrothermal process. The 143Nd/144Nd ratios for all samples, except one basement clast with 143Nd/144Nd of 0.5121, cluster at 0.5123 to 0.5124. In an ɛNd‐ɛSr diagram, impactites plot in a field delimited by ɛNd of −2 to −6, and ɛSr of 55 to 69. This field is not defined by the basement lithologies described to occur as lithic clasts in impact breccias and Cretaceous sediments. At least one additional intermediate to mafic precursor component is required to explain the data.
• Scheibler; Frenz, Journal fur praktische Chemie (Leipzig 1954), 1955, vol. <4> 2, p. 127,145
  作者：Scheibler、Frenz

  DOI：——

  日期：——