3-Methyl-cyclobutan-1-carbonsaeure-chlorid | 90150-80-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3-Methyl-cyclobutan-1-carbonsaeure-chlorid
• 英文别名: 3-Methylcyclobutane-1-carbonyl chloride；3-methylcyclobutane-1-carbonyl chloride
• CAS: 90150-80-4
• 化学式: C₆H₉ClO
• 分子量: 132.59
• InChiKey: FRJQIJBBUSLDRT-UHFFFAOYSA-N

物化性质

• 沸点：
  143.0±9.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  3-Methyl-cyclobutan-1-carbonsaeure-chlorid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 (3-甲基环丁基)甲醇
  参考文献：
  名称：

  Chan, L. K. M.; Gemmell, P. A.; Gray, G. W., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 168, p. 229 - 246

  摘要：

  DOI：
• 作为产物：
  描述：

  3-亚甲基环丁基甲腈 在 palladium on activated charcoal 吡啶 、 sodium hydroxide 、 氯化亚砜 、 氢气 作用下， 反应 16.0h， 生成 3-Methyl-cyclobutan-1-carbonsaeure-chlorid
  参考文献：
  名称：

  Synthesis and Reactions of 3-Methylcyclobutene

  摘要：

  DOI：

  10.1021/jo01025a001

文献信息

• Spiro[3.3]heptane as a Saturated Benzene Bioisostere**
  作者：Kateryna Prysiazhniuk、Oleksandr P. Datsenko、Oleksandr Polishchuk、Stanislav Shulha、Oleh Shablykin、Yelyzaveta Nikandrova、Kateryna Horbatok、Iryna Bodenchuk、Petro Borysko、Dmytro Shepilov、Iryna Pishel、Vladimir Kubyshkin、Pavel K. Mykhailiuk

  DOI：10.1002/anie.202316557

  日期：2024.2.26

  The spiro[3.3]heptane core, with the non-coplanar exit vectors, was shown to be a saturated benzene bioisostere. This scaffold was incorporated into the anticancer drug sonidegib (instead of the meta-benzene), the anticancer drug vorinostat (instead of the phenyl ring), and the anesthetic drug benzocaine (instead of the para-benzene). The patent-free saturated analogs obtained showed a high potency

  具有非共面退出向量的螺[3.3]庚烷核心被证明是饱和苯生物等排体。该支架被整合到抗癌药物索尼吉布（代替间苯）、抗癌药物伏立诺他（代替苯环）和麻醉药物苯佐卡因（代替对苯）中。获得的无专利饱和类似物在相​​应的生物测定中显示出高效力。
• Conia,J.-M.; Gore,J., Bulletin de la Societe Chimique de France, 1963, p. 735 - 743
  作者：Conia,J.-M.、Gore,J.

  DOI：——

  日期：——
• Long-acting contraceptive agents: Design of the who chemical synthesis programme
  作者：Pierre Crabbé、Sydney Archer、Giuseppe Benagiano、Egon Diczfalusy、Carl Djerassi、Josef Fried、Takeru Higuchi

  DOI：10.1016/0039-128x(83)90095-8

  日期：1983.3

  The great demand for improved long-acting injectable steroid contraceptives, particularly in developing countries, and the relative lack of interest from the pharmaceutical industry to develop such products stimulated WHO to launch a synthetic and screening programme to find improved, safe and acceptable injectable preparations. More than 210 esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) and levonorgestrel (D-(-)-13 beta-ethyl-17 alpha-ethynyl-17 beta-hydroxygon-4-en-3-one) have been prepared in university-based research laboratories situated mainly in developing countries, and then screened by NICHHD in animal models. The following three compounds, levonorgestrel butanoate, cyclopropylcarboxylate and cyclobutylcarboxylate, proved to be particularly long-acting when administered as microcrystalline suspensions. The overall strategy of this research and development programme is described.
• Kasanskii; Lukina, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1951, p. 47,54
  作者：Kasanskii、Lukina

  DOI：——

  日期：——
• THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP2240475B1

  公开（公告）日：2013-09-25