2,3-dichloroacrylonitrile | 3533-66-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 2,3-dichloroacrylonitrile
• 英文别名: 2,3-dichloro-acrylonitrile；2,3-Dichlor-acrylonitril；α,β-Dichlor-acrylonitril；α,β-Dichloracrylnitril；trans-2,3-Dichlor-acrylonitril；alpha,beta-Dichloroacrylonitrile；(E)-2,3-dichloroprop-2-enenitrile
• CAS: 3533-66-2
• 化学式: C₃HCl₂N
• 分子量: 121.954
• InChiKey: NDWDVOQVCRKCDJ-HNQUOIGGSA-N

物化性质

• 沸点：
  129-131 °C(Press: 750 Torr)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-dichloroacrylonitrile 在 甲醇 、 氨 作用下， 生成 3-amino-2-chloro-acrylonitrile
  参考文献：
  名称：

  Erickson, Journal of the American Chemical Society, 1949, vol. 71, p. 77

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,3-三氯丙腈 在 phosphorus pentoxide 、 甲烷 作用下， 生成 2,3-dichloroacrylonitrile
  参考文献：
  名称：

  Brintzinger; Pfannstiel; Koddebusch, Angewandte Chemie, 1948, vol. 60, p. 312

  摘要：

  DOI：

文献信息

• Reactions of halogenated acrylonitrile derivatives with arylsulfinate salts
  作者：Bernard Miller、Malda V. Kalnins

  DOI：10.1016/0040-4020(67)85064-6

  日期：1967.1

  Reaction of α,β-dichloroacrylonitrile with arylsulfinate salts in refluxing ethanol gave high yields of arylsulfonylacetonitriles. A proposed intermediate, α-chloro-β-p-tolylsulfonylacrylonitrile can be isolated and can be converted to p-tolylsulfonylacetonitrile under the conditions of the reaction. β,β-Dichloroacrylonitrile similarly gives acetonitrile derivatives on reaction with sulfinate salts

  α，β-二氯丙烯腈与芳基亚磺酸盐在回流的乙醇中反应，得到高产率的芳基磺酰基乙腈。可以分离提出的中间体α-氯-β-对甲苯磺酰基丙烯腈，并且可以在反应条件下将其转化为对甲苯磺酰基乙腈。当与亚磺酸盐反应时，β，β-二氯丙烯腈类似地得到乙腈衍生物。
• A novel route to the 5,6-dihydro-4-H-thieno[3,2-b]pyrrol-5-one ring system involving an intermediate substituted-thiophene synthesis
  作者：Shuanghua Hu、Yazhong Huang、Michael A. Poss、Robert G. Gentles

  DOI：10.1002/jhet.5570420427

  日期：2005.5

  A novel route to electron-deficient thienopyrrolones is disclosed. The target heterocycles are concisely constructed by condensation of activated α- or β-halo-substituted acrylonitriles, or ortho-substituted halo, cyano heterocycles with mercaptopyruvate, followed by reduction and subsequent lactamization.

  公开了一种缺乏电子的噻吩并吡咯烷酮的新途径。通过使活化的α-或β-卤代取代的丙烯腈或邻位取代的卤素，氰基杂环与巯基丙酮酸酯缩合，然后还原并随后进行内酰胺化，简明地构建了目标杂环。
• Determinants of mortality in patients with advanced cirrhosis after transjugular intrahepatic portosystemic shunting
  作者：Naga Chalasani、W.Scott Clark、L.G. Martin、Jeffrie Kamean、M.Abdul Khan、Nilesh H. Patel、Thomas D. Boyer

  DOI：10.1016/s0016-5085(00)70422-7

  日期：2000.1

  Background & Aims: Transjugular intrahepatic portosystemic shunt (TIPS) placement is effective in the treatment of complications of portal hypertension. This study evaluated the predictors of mortality in a group of cirrhotic patients with advanced liver disease after placement of TIPS. Methods: A retrospective analysis of all patients undergoing TIPS placement over a 2 1/2-year period was undertaken. Results: Fifty-six patients had TIPS placement for variceal hemorrhage, 49 for refractory ascites, and 24 for hepatic hydrothorax (total, 129). Of 21 variables available before TIPS placement, variceal hemorrhage requiring emergent TIPS placement (relative risk [RR], 37.5; 95% confidence interval [CI], 5.4-259) and bilirubin concentration >3.0 mg/dL (RR, 5.4; 95% CI, 1.4-10.2) were independent predictors of 30-day mortality. Variceal hemorrhage requiring emergent TIPS placement (hazard ratio [HR], 5.1, 95% CI, 2.2-9.1), alanine aminotransferase level >100 IU/L (HR, 2.5; 95% CI, 1.2-5.5), bilirubin level >3.0 mg/dL (HR, 2.6; 95% CI, 1.1-4.6), and pre-TIPS encephalopathy unrelated to bleeding (HR, 2.2; 95% CI, 1.2-4.8) independently predicted death during the follow-up period. A model was developed that separated the patients into 3 groups with significantly different survival rates. Conclusions: A clinical index consisting of 4 pre-TIPS variables can reliably predict outcome after TIPS.
• US2385550
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• US2328984
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