对氯苯基硫代丙酮酸 | 113185-83-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 对氯苯基硫代丙酮酸
• 英文名称: p-chlorophenylthiopyruvic acid
• 英文别名: 3-(4-chloro-phenyl)-2-thioxo-propionic acid；3-(4-Chlor-phenyl)-2-thioxo-propionsaeure；α-Thion-β-(4-chlor-phenyl)-propionsaeure；3-(4-Chlorophenyl)-2-sulfanylidenepropanoic acid
• CAS: 113185-83-4
• 化学式: C₉H₇ClO₂S
• 分子量: 214.672
• InChiKey: DDXGRZSZRYFEHS-UHFFFAOYSA-N

物化性质

• 沸点：
  372.4±44.0 °C(predicted)
• 密度：
  1.428±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  对氯苯基硫代丙酮酸 在 氢氧化钾 、 乙醇 、 羟胺 作用下， 生成 对氯苯乙酸
  参考文献：
  名称：

  Iodine deficiency in Calabria: Characterization of endemic goiter and analysis of different indicators of iodine status region-wide

  摘要：

  The distribution of goiter prevalence in schoolchildren (no.=13,984, age 6-14 yr), the neonatal TSH results obtained from the congenital hypothyroidism screening program and the urinary iodine excretion values (no.=284) were employed for the assessment of iodine deficiency in Calabria, a Southern Italy region. Data were collected during the years 1990-1996. In the inland territory, goiter prevalence ranged from 19 to 64%. At sea level, there was a great variability of goiter prevalence, with values varying from 5.3 to 25.7%. The analysis of the neonatal hypothyroidism screening program data (no.=21,078) showed a 14.8% frequency of TSH levels >5 muU/ml whole blood in newborns from the inland territory and a 14.1% frequency at sea level. Urinary iodine excretion resulted (mean+/-SD) 53.8+/-43.4 mug/l (range: <20 to 189 mu g/1) in the inland territory and 89.6+/-59.8 mu g/l (range: 26 to 333 mu g/l) at sea level. Median urinary iodine excretion values in 13 villages or small towns of the inland territory ranged from 31 to 57 mu g/l. In 2 major towns located at sea level, the median iodine excretion values were 72 mu g/l in Crotone main city and 94 mu g/l in Reggio Calabria main city. The data indicated that moderate, with pockets of severe iodine deficiency is present in the inland region while iodine supply varies from sufficient to marginally low in the coastal areas. Mild iodine deficiency was found in a major town located at sea level.

  DOI：

  10.1007/bf03343991
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 对氯苯基硫代丙酮酸
  参考文献：
  名称：

  Iodine deficiency in Calabria: Characterization of endemic goiter and analysis of different indicators of iodine status region-wide

  摘要：

  The distribution of goiter prevalence in schoolchildren (no.=13,984, age 6-14 yr), the neonatal TSH results obtained from the congenital hypothyroidism screening program and the urinary iodine excretion values (no.=284) were employed for the assessment of iodine deficiency in Calabria, a Southern Italy region. Data were collected during the years 1990-1996. In the inland territory, goiter prevalence ranged from 19 to 64%. At sea level, there was a great variability of goiter prevalence, with values varying from 5.3 to 25.7%. The analysis of the neonatal hypothyroidism screening program data (no.=21,078) showed a 14.8% frequency of TSH levels >5 muU/ml whole blood in newborns from the inland territory and a 14.1% frequency at sea level. Urinary iodine excretion resulted (mean+/-SD) 53.8+/-43.4 mug/l (range: <20 to 189 mu g/1) in the inland territory and 89.6+/-59.8 mu g/l (range: 26 to 333 mu g/l) at sea level. Median urinary iodine excretion values in 13 villages or small towns of the inland territory ranged from 31 to 57 mu g/l. In 2 major towns located at sea level, the median iodine excretion values were 72 mu g/l in Crotone main city and 94 mu g/l in Reggio Calabria main city. The data indicated that moderate, with pockets of severe iodine deficiency is present in the inland region while iodine supply varies from sufficient to marginally low in the coastal areas. Mild iodine deficiency was found in a major town located at sea level.

  DOI：

  10.1007/bf03343991

文献信息

• Complexes of phenyl- and ϱ-chloro-phenylthiopyruvic acids with some bivalent metals. Part I
  作者：S.N. Chaubey、J.P. Shrivastava、L.K. Mishra

  DOI：10.1016/s0020-1693(00)94732-7

  日期：1977.1

  Abstract Neutral bischelates of bivalent nickel (II), cobalt(II), copper(II) and palladium(II) with phenylthiopyruvic acid (PTAH) and p -chlorophenylthiopyruvic acid ( p -CIPTAH) of the formula ML 2 nH 2 O (where L = PTA and p -ClPTA; M = Co and Ni, n = 2; M = Cu, n = 1; M = Pd, n = 0) are described. The i.r., U.V. and magnetic susceptibilities of complexes are reported. The magnetic moment values

  摘要二价镍（II），钴（II），铜（II）和钯（II）与苯基硫代丙酮酸（PTAH）和对氯苯基硫代丙酮酸（p-CIPTAH）的中性双螯合物，分子式为ML 2 nH 2 O（其中描述了L ＝ PTA和p-ClPTA； M ＝ Co和Ni，n ＝ 2； M ＝ Cu，n ＝ 1； M ＝ Pd，n ＝ 0）。报道了配合物的红外，紫外和磁化率。Ni（II），Cu（II）配合物的磁矩值正常，而Co（II）配合物的磁矩值异常。红外光谱表明，配体通过硫酮硫和OH的去质子化作用使羧酸盐中的一种氧配位。
• Iodine deficiency in Calabria: Characterization of endemic goiter and analysis of different indicators of iodine status region-wide
  作者：G. Costante、L. Grasso、E. Schifino、M. F. Marasco、U. Crocetti、C. Capula、R. Chiarella、O. Ludovico、M. Nocera、G. Parlato、S. Filetti

  DOI：10.1007/bf03343991

  日期：2002.3

  The distribution of goiter prevalence in schoolchildren (no.=13,984, age 6-14 yr), the neonatal TSH results obtained from the congenital hypothyroidism screening program and the urinary iodine excretion values (no.=284) were employed for the assessment of iodine deficiency in Calabria, a Southern Italy region. Data were collected during the years 1990-1996. In the inland territory, goiter prevalence ranged from 19 to 64%. At sea level, there was a great variability of goiter prevalence, with values varying from 5.3 to 25.7%. The analysis of the neonatal hypothyroidism screening program data (no.=21,078) showed a 14.8% frequency of TSH levels >5 muU/ml whole blood in newborns from the inland territory and a 14.1% frequency at sea level. Urinary iodine excretion resulted (mean+/-SD) 53.8+/-43.4 mug/l (range: <20 to 189 mu g/1) in the inland territory and 89.6+/-59.8 mu g/l (range: 26 to 333 mu g/l) at sea level. Median urinary iodine excretion values in 13 villages or small towns of the inland territory ranged from 31 to 57 mu g/l. In 2 major towns located at sea level, the median iodine excretion values were 72 mu g/l in Crotone main city and 94 mu g/l in Reggio Calabria main city. The data indicated that moderate, with pockets of severe iodine deficiency is present in the inland region while iodine supply varies from sufficient to marginally low in the coastal areas. Mild iodine deficiency was found in a major town located at sea level.