环丙基-(2,4-二甲基苯基)甲酮 | 71172-79-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 环丙基-(2,4-二甲基苯基)甲酮
• 英文名称: cyclopropyl(2,4-dimethylphenyl)methanone
• 英文别名: cyclopropyl 2,4-dimethylphenyl ketone；cyclopropyl 2,4-xylyl ketone；Cyclopropyl-<2,4-dimethyl-phenyl>-keton；cyclopropyl-(2,4-dimethylphenyl)methanone
• CAS: 71172-79-7
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: CENWGMGAFRZWTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090

反应信息

• 作为反应物：
  描述：

  环丙基-(2,4-二甲基苯基)甲酮 、 对甲苯磺酰肼 以 乙醇 为溶剂， 生成 N'-(cyclopropyl(2,4-dimethylphenyl)methylene)-4-methylbenzenesulfonyl hydrazide
  参考文献：
  名称：

  Palladium-catalyzed cross-coupling of cyclopropylmethyl N-tosylhydrazones with aromatic bromides: an easy access to multisubstituted 1,3-butadienes

  摘要：

  Direct synthesis of 1,1-disubstitued 1,3-butadienes has been efficiently realized from the cross-coupling of cyclopropylmethyl N-tosylhydrazones with aromatic bromides by means of PdCl2(MeCN)(2) as catalyst. 1,1,4-Trisubstitued 1,3-butadiene derivatives were obtained in up to 70% yields through a one-pot procedure catalyzed by Pd(OAc)(2) in the presence of excessive amount of aromatic bromides. The present methodology provides an easy and efficient route to multisubstituted 1,3-butadienes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.09.072
• 作为产物：
  描述：

  Se-phenyl cyclopropanecarboselenoate 、 间二甲苯 在 9,10-二甲氧基蒽 作用下， 以 乙腈 为溶剂， 以74%的产率得到环丙基-(2,4-二甲基苯基)甲酮
  参考文献：
  名称：

  使用有机光氧化还原催化的p-选择性（sp2）-CH官能化的酰化/烷基化反应

  摘要：

  富电子芳烃的p-选择性（sp2）-CH功能化已通过涉及有趣机理的有机光氧化还原催化分别通过酰基/烷基硒化物进行酰化和烷基化反应。

  DOI：

  10.1039/c7cc07529d

文献信息

• Discovery of a class of calcium sensing receptor positive allosteric modulators; 1-(benzothiazol-2-yl)-1-phenylethanols
  作者：Magnus Gustafsson、Jacob Jensen、Sine M. Bertozzi、Erika A. Currier、Jian-Nong Ma、Ethan S. Burstein、Roger Olsson

  DOI：10.1016/j.bmcl.2010.07.077

  日期：2010.10

  1-(Benzothiazol-2-yl)-1-(4-chlorophenyl)ethanol (1) was identified as a positive allosteric modulator (PAM) of the CaSR in a functional cell-based assay. This compound belongs to a class of compounds that is structurally distinct from other known positive allosteric modulators, for example, the phenylalkylamines cinacalcet, a modified analog (13) potently suppressed parathyroid hormone (PTH) release

  在基于功能细胞的测定中，1-（苯并噻唑-2-基）-1-（4-氯苯基）乙醇（1）被鉴定为CaSR的正变构调节剂（PAM）。该化合物属于一类在结构上与其他已知的正构构调节剂不同的化合物，例如苯烷基胺西那卡塞（一种修饰的类似物（13）在大鼠中有效抑制甲状旁腺激素（PTH）释放），与其作为PAM的特征相符CaSRs。
• Thiazol-2-yl organic compounds
  申请人：Novartis AG

  公开号：EP2357179A1

  公开（公告）日：2011-08-17

  Compounds of formula (I) in free or salt form, wherein R1, R2, R3, R4 and X have the meanings as indicated in the specification, are useful for treating diseases mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  其中 R1、R2、R3、R4 和 X 的含义如说明书所示，游离或盐形式的式 (I) 化合物可用于治疗由磷脂酰肌醇 3- 激酶介导的疾病。还描述了含有这些化合物的药物组合物和制备这些化合物的工艺。
• <i>p</i>-Selective (sp²)-C–H functionalization for an acylation/alkylation reaction using organic photoredox catalysis
  作者：Ganesh Pandey、Sandip Kumar Tiwari、Bhawana Singh、Kumar Vanka、Shailja Jain

  DOI：10.1039/c7cc07529d

  日期：——

  p-Selective (sp2)-C-H functionalization of electron rich arenes have been achieved for acylation and alkylation reaction, respectively, with acyl/alkylselenides by organic photoredox catalysis involving interesting mechanistic pathway.

  富电子芳烃的p-选择性（sp2）-CH功能化已通过涉及有趣机理的有机光氧化还原催化分别通过酰基/烷基硒化物进行酰化和烷基化反应。
• Palladium-catalyzed cross-coupling of cyclopropylmethyl N-tosylhydrazones with aromatic bromides: an easy access to multisubstituted 1,3-butadienes
  作者：Qin Yang、Huining Chai、Tingting Liu、Zhengkun Yu

  DOI：10.1016/j.tetlet.2013.09.072

  日期：2013.11

  Direct synthesis of 1,1-disubstitued 1,3-butadienes has been efficiently realized from the cross-coupling of cyclopropylmethyl N-tosylhydrazones with aromatic bromides by means of PdCl2(MeCN)(2) as catalyst. 1,1,4-Trisubstitued 1,3-butadiene derivatives were obtained in up to 70% yields through a one-pot procedure catalyzed by Pd(OAc)(2) in the presence of excessive amount of aromatic bromides. The present methodology provides an easy and efficient route to multisubstituted 1,3-butadienes. (C) 2013 Elsevier Ltd. All rights reserved.