3-chloro-4-hydroxy-2-butanone | 66241-40-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-chloro-4-hydroxy-2-butanone
• 英文别名: 3-chloro-4-hydroxy-butan-2-one；3-Chlor-4-hydroxy-butan-2-on；3-Chlor-butanol-(4)-on-(2)；3-Chlor-4-hydroxybutan-2-on；3-Chloro-4-hydroxybutan-2-one
• CAS: 66241-40-5
• 化学式: C₄H₇ClO₂
• 分子量: 122.551
• InChiKey: CLMNQCJJVRIRTE-UHFFFAOYSA-N

物化性质

• 沸点：
  24-26 °C(Press: 0.005 Torr)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-chloro-4-hydroxy-2-butanone 生成 3-chloro-but-3-en-2-one
  参考文献：
  名称：

  DE708371

  摘要：

  公开号：
• 作为产物：
  描述：

  丁烯酮 在 水 、 次氯酸 作用下， 生成 3-chloro-4-hydroxy-2-butanone
  参考文献：
  名称：

  Hesse; Stahl, Chemische Berichte, 1956, vol. 89, p. 2414,2421

  摘要：

  DOI：

文献信息

• Metal-catalyzed organic photoreactions. Chemo- and regioselectivities in the CuCl2-induced photooxidation of olefins
  作者：Tadashi Sato、Shin-ichi Yonemochi

  DOI：10.1016/s0040-4020(01)90468-5

  日期：——

  Copper(II) chloride induced the chemo and regioselective chlorohydroperoxidation, as well as the site-selective chlorination of olefins, under photooxygenation conditions.

  氯化铜（II）在光氧合条件下诱导了化学和区域选择性的氯代氢过氧化作用，以及烯烃的位点选择性氯化。
• Thiamin Analogs. III. 4-Methyl-5-(hydroxymethyl)-thiazole¹
  作者：Edwin R. Buchman、Herbert Sargent

  DOI：10.1021/ja01219a013

  日期：1945.3
• Metal-catalyzed organic photoreactions. One-step synthesis of chlorinated ketones from olefins by photooxidation in the presence of iron(III) chloride
  作者：Akira Kohda、Keiko Ueda、Tadashi Sato

  DOI：10.1021/jo00316a007

  日期：1981.1
• The Effect on Attribute Prediction of Location Uncertainty in Spatial Data
  作者：John Gabrosek、Noel Cressie

  DOI：10.1111/j.1538-4632.2002.tb01088.x

  日期：2002.7

  A datum is considered spatial if it contains location information. Typically, there is also attribute information, whose distribution depends on its location. Thus, error in location information can lead to error in attribute information, which is reflected ultimately in the inference drawn from the data. We propose a statistical model for incorporating location error into spatial data analysis. We investigate the effect of location error on the spatial lag, the covariance function, and optimal spatial linear prediction (that is, kriging). We show that the form of kriging after adjusting for location error is the same as that of kriging without adjusting for location error. However, location error changes entries in the matrix of explanatory variables, the matrix of co‐variances between the sample sites, and the vector of covariances between the sample sites and the prediction location. We investigate, through simulation, the effect that varying trend, measurement error, location error, range of spatial dependence, sample size, and prediction location have on kriging after and without adjusting for location error. When the location error is large, kriging after adjusting for location error performs markedly better than kriging without adjusting for location error, in terms of both the prediction bias and the mean squared prediction error.
• alpha-halogenvinylketone
  申请人：IG FARBENINDUSTRIE AG

  公开号：US02173066A1

  公开（公告）日：1939-09-12