3-isopropoxyprop-1-yne | 53135-63-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-isopropoxyprop-1-yne
• 英文别名: 3-isopropoxy-propyne；isopropyl-prop-2-ynyl ether；Isopropyl-prop-2-inyl-aether；3-Isopropoxy-propin；2-prop-2-ynoxypropane
• CAS: 53135-63-0
• 化学式: C₆H₁₀O
• mdl: MFCD22689867
• 分子量: 98.1448
• InChiKey: ILSBQHAPINGYIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.666
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-isopropoxyprop-1-yne 在 硫酸 、 mercury(II) oxide 作用下， 生成 1-异丙氧基丙酮
  参考文献：
  名称：

  Wwedenskii, Ukrainskij Khimicheskij Zhurnal, 1959, vol. 25, p. 203

  摘要：

  DOI：
• 作为产物：
  描述：

  1-异丙氧基-1-丙炔 在 sodium amide 作用下， 以 氨 为溶剂， 生成 3-isopropoxyprop-1-yne
  参考文献：
  名称：

  van Daalen,J.J. et al., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 810 - 818

  摘要：

  DOI：

文献信息

• [EN] QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER<br/>[FR] DERIVES DE QUINAZOLINE UTILISES DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2004004732A1

  公开（公告）日：2004-01-15

  The invention concerns quinazoline derivatives of Formula (I) wherein each of Z, m, R1, n, R3,Z2 and R14 have any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an anti-invasive or anti-proliferative agent in the containment and/or treatment of solid tumour disease.

  这项发明涉及式（I）的喹唑啉衍生物，其中Z、m、R1、n、R3、Z2和R14中的每一个具有在描述中先前定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗侵袭或抗增殖剂的药物时在固体肿瘤疾病的控制和/或治疗中的用途。
• On the mechanism of nucleophilic substitution of allenyl(aryl)iodine(III): Formation of propargyl cation and competition with sigmatropic rearrangement
  作者：Masahito Ochiai、Michio Kida、Tadashi Okuyama

  DOI：10.1016/s0040-4039(98)01276-3

  日期：1998.8

  The ratios of nucleophilic substitution versus [3,3] sigmatropic rearrangement for the collapse of allenyl(aryl)-iodine(III), generated from the reaction of aryliodanes with propargylsilanes in the presence of BF3Et2O in alcohols, were determined. A proposed mechanism involves generation of propargyl cations from the allenyliodine(III) via a unimolecular pathway.

  亲核取代与[3,3]对于丙二烯基的崩溃（芳基） -碘（III），从aryliodanes与propargylsilanes中的BF存在下进行反应生成σ重排的比率3 Et 2 Ó醇，测定。拟议的机制涉及通过单分子途径从烯丙基碘（III）生成炔丙基阳离子。
• Sendega; Makitra; Pirig, Russian Journal of Organic Chemistry, 1996, vol. 32, # 10, p. 1438 - 1446
  作者：Sendega、Makitra、Pirig

  DOI：——

  日期：——
• Bioisosteric Replacement of the Pyrazole 5-Aryl Moiety of <i>N</i>-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1<i>H</i>-pyrazole-3-carboxamide (SR141716A). A Novel Series of Alkynylthiophenes as Potent and Selective Cannabinoid-1 Receptor Antagonists
  作者：Shi-Liang Tseng、Ming-Shiu Hung、Chun-Ping Chang、Jen-Shin Song、Chia-Liang Tai、Hua-Hao Chiu、Wan-Ping Hsieh、Yinchiu Lin、Wan-Ling Chung、Chun-Wei Kuo、Chien-Huang Wu、Cheng-Ming Chu、Yen-Shih Tung、Yu-Sheng Chao、Kak-Shan Shia

  DOI：10.1021/jm800066v

  日期：2008.9.11

  Replacing the conventional pyrazole 5-aryl substituent of 1 (SR141716A) with the 2-thienyl rnoiety appended with ail appropriate alkynyl unit, a novel class of 5-(5-alkynyl-2-thienyl)pyrazole derivatives, behaving as highly potent CB1 receptor antagonists with good CB1/2 selectivity, was discovered, many of which, its typified by compound 18, showed significant weight reduction in diet-indUced obese Mouse model, thus pharmacologically validating that the bioisosteric replacement described above is viable. Also encouraging was the finding that a subtle structural modification of the newly developed series could result in a distinct difference in the intrinsic property, as demonstrated by compounds 12 (NA) and its methylated structural isomers 15 (PA) and 18 (IA). Moreover, current structure-activity relationship Studies revealed that around the pyrazole 5-position of 1, a deep and flat crevice surrounded by a sequence of hydrophobic/aromatic residues as indicated by the CB I-receptor homology model might exist in the binding site.
• van Daalen,J.J. et al., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 810 - 818
  作者：van Daalen,J.J. et al.

  DOI：——

  日期：——