2,4-Diacetyl-3-(4-methylphenyl)-5-hydroxy-5-methylcyclohexanone | 71954-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-Diacetyl-3-(4-methylphenyl)-5-hydroxy-5-methylcyclohexanone
• 英文别名: Cyclohexanone, 2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylphenyl)-；2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
• CAS: 71954-38-6
• 化学式: C₁₈H₂₂O₄
• mdl: MFCD01032006
• 分子量: 302.37
• InChiKey: OVSACNJGYGVYJL-UHFFFAOYSA-N

物化性质

• 熔点：
  153 °C(Solv: ligroine (8032-32-4); benzene (71-43-2))
• 沸点：
  482.0±45.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-Diacetyl-3-(4-methylphenyl)-5-hydroxy-5-methylcyclohexanone 在 sodium methylate 作用下， 生成 Acetic acid 7-acetyl-4-cyano-1,6-dimethyl-3-oxo-8-p-tolyl-2,3,5,6,7,8-hexahydro-isoquinolin-6-yl ester
  参考文献：
  名称：

  8-芳基-7-酰基-1-6-二甲基-6-羟基-4-氰基-5,6,7,8-四氢-3（2H）-异喹啉酮和异喹啉乙酮的合成及化学性质

  摘要：

  DOI：

  10.1007/bf01169354
• 作为产物：
  描述：

  对甲基苯甲醛 、 乙酰丙酮 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 0.02h， 以95%的产率得到2,4-Diacetyl-3-(4-methylphenyl)-5-hydroxy-5-methylcyclohexanone
  参考文献：
  名称：

  Rajanarendar; Rao, E. Kalyan; Karunakar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 3, p. 805 - 807

  摘要：

  DOI：

文献信息

• Synthesis of partially hydrogenated isoquinoline derivatives by condensation of 2,4-diacetyl-3-aryl(hetaryl)-5-hydroxy-5-methylcyclohexanones with malononitrile and its dimer and a study of their alkylation
  作者：Vladimir D. Dyachenko、Svetlana M. Sukach、Aleksandr D. Dyachenko

  DOI：10.1007/s10593-015-1658-9

  日期：2015.1

  New derivatives of partially hydrogenated isoquinolines were obtained by condensation of 2,4-diacetyl-3-aryl(hetaryl)-5-hydroxy-5-methylcyclohexanones with malononitrile and its dimer, 2-amino-1,1,3-tricyano-1-propene, and alkylation reactions of the obtained compounds were studied.

  通过2,4-二乙酰基-3-芳基（杂芳基）-5-羟基-5-甲基环己酮与丙二腈及其二聚体2-氨基-1,1,3-三丁烷-1的缩合反应获得部分氢化的异喹啉的新衍生物。 -丙烯，和获得的化合物的烷基化反应进行了研究。
• Synthesis of 1H-pyrazolo[3,4-c]isoquinolin-1-ones by the condensation of cyclohexanone derivatives with 3-amino-1-phenyl-1H-pyrazol-5(4H)-one
  作者：V. D. Dyachenko、S. M. Sukach

  DOI：10.1134/s1070363212020211

  日期：2012.2

  The synthesis of 1H-pyrazolo[3,4-c]isoquinolin-1-ones was carried out by reacting 3-aryl(heteryl)-2,4-diacetyl-5-hydroxy-5-methylcyclohexanones with 3-amino-1-phenyl-1H-pyrazol-5(4H)-one. The structure of the 7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(fur-2-yl)-1H-pyrazolo[3,4-c]isoquinolin-1-one obtained was proved by X-ray diffraction analysis.
• Synthesis of 7-acetyl-8-aryl(hetaryl)- 6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroiso-quinoline-4-carbonitriles by the condensation of 2,4-diacetyl-3-aryl(hetaryl)- 5-hydroxy-5-methyl-cyclohexanones with cyanoselenoacetamide
  作者：V. D. Dyachenko、S. M. Sukach

  DOI：10.1007/s10593-011-0693-4

  日期：2011.3

  7-Acetyl-8-aryl(hetaryl)-6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitriles have been obtained by the condensation of 2,4-diacetyl-3-aryl(hetaryl)-5-hydroxy-5-methylcyclohexanones with cyanoselenoacetamide.
• PONOMAREV O. A.; PIVNENKO N. S.; LAVRUSHIN V. F., UKR. XIM. ZH., 1980, 46, HO 9, 972-977
  作者：PONOMAREV O. A.、 PIVNENKO N. S.、 LAVRUSHIN V. F.

  DOI：——

  日期：——
• PRAMEELA B.; RAJANARENDAR E.; SHOOLERY J. N.; MURTHY A. KRISHNA, INDIAN J. CHEM., 24,(1985) N 12, 1255-1258
  作者：PRAMEELA B.、 RAJANARENDAR E.、 SHOOLERY J. N.、 MURTHY A. KRISHNA

  DOI：——

  日期：——