(Z)-1-chloro-4-methyl-1-penten-3-one | 87025-27-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-1-chloro-4-methyl-1-penten-3-one
• 英文别名: β-Chlorvinyl-isopropylketon；(Z)-1-chloro-4-methylpent-1-en-3-one
• CAS: 87025-27-2
• 化学式: C₆H₉ClO
• 分子量: 132.59
• InChiKey: YCDOHSUMKPOXSR-ARJAWSKDSA-N

物化性质

• 沸点：
  171.3±23.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (Z)-1-chloro-4-methyl-1-penten-3-one 、 甲胺 生成 (Z)-2-methyl-5-methylaminopent-4-ene-3-oney
  参考文献：
  名称：

  Electronic spectra of .alpha.,.beta.-unsaturated carbonyl compounds. I. An evaluation of increments characteristic of changes in configuration (cis/trans) and conformation (s-cis/s-trans) based on direct observation of the isomerization of enamino aldehydes and ketones

  摘要：

  DOI：

  10.1021/ja00426a026
• 作为产物：
  描述：

  4-甲基-1-戊炔-3-酮 、 五氯化磷 生成 (Z)-1-chloro-4-methyl-1-penten-3-one
  参考文献：
  名称：

  NASER-UD-DIN;SKATTEBOL, L., ACTA CHEM. SCAND., 1983, 37, N 3, 247-248

  摘要：

  DOI：

文献信息

• An Improved Synthesis of 2<i>H</i>-1,2,6-Thiadiazine 1,1-Dioxides by Condensation of β-Amino and β-Chloro α,β-Unsaturated Ketones with Sulfamides
  作者：Angel Alberola、José M. Andrés、Alfonso González、Rafael Pedrosa、Martina Vicente

  DOI：10.1055/s-1991-26464

  日期：——

  Symmetrically substituted β-amino α, β-unsaturated ketones react with sulfamide giving 2H-1,2,6-thiadiazine 1,1-dioxides in excellent yields. Unsymmetrically substituted β-amino and β-chloro α, β-unsaturated ketones also react with benzylsulfamide to yield thiadiazine derivatives in good chemical yields and excellent regioselectivity.

  对称取代的δ²-氨基δ±、δ²-不饱和酮与磺酰胺反应，生成 2H-1,2,6-噻二嗪 1,1-二氧化物，收率极高。不对称取代的δ²-氨基和δ²-氯δ±, δ²-不饱和酮也能与苄基磺酰胺反应，生成噻二嗪衍生物，化学收率高，具有极好的区域选择性。
• Naser-Ud-Din; Skattebol, Lars, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1983, vol. 37, # 3, p. 247 - 248
  作者：Naser-Ud-Din、Skattebol, Lars

  DOI：——

  日期：——
• ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20210380574A1

  公开（公告）日：2021-12-09

  The present invention encompasses compounds of formula (I) wherein R 1a , R 1b , R 2a , R 2b , Z, R 3 to R 5 , A, p, U, V, W, L and E have the meanings given in the claims and specification, their use as inhibitors of mutant Ras family proteins, pharmaceutical compositions and preparations containing such compounds and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.