2-acetyl-3-methoxy-5,5-dimethyl-cyclohex-2-enone | 21014-79-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetyl-3-methoxy-5,5-dimethyl-cyclohex-2-enone
• 英文别名: 2-Acetyl-3-methoxy-5,5-dimethyl-cyclohex-2-enon；2-acetyl-5,5-dimethyl-3-methoxy-2-cyclohexene-1-one；2-acetyl-3-methoxy-5,5-dimethylcyclohex-2-en-1-one
• CAS: 21014-79-9
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: JOBBHJMFVRDXKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-acetyl-3-methoxy-5,5-dimethyl-cyclohex-2-enone 在 对甲苯磺酸 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 16.0h， 生成 17α-ethoximino-16,16-dimethyl-8-aza-D-homogona-1,3,5(10),9(11),13-pentaen-12-one
  参考文献：
  名称：

  Gulyakevich; Rubinova; Rubinov, Russian Journal of General Chemistry, 1999, vol. 69, # 9, p. 1499 - 1507

  摘要：

  DOI：
• 作为产物：
  描述：

  2-acetyldimedone 生成 2-acetyl-3-methoxy-5,5-dimethyl-cyclohex-2-enone
  参考文献：
  名称：

  TAMURA, YASUMITSU;FUKUMORI, SATOSHI;WADA, AKIMORI;OKUYAMA, SHIGEHIRO;ADAC+, CHEM. AND PHARM. BULL., 1982, 30, N 5, 1692-1696

  摘要：

  DOI：

文献信息

• Pyridazinone derivatives
  申请人：Nippon Soda Co., Ltd.

  公开号：US05110925A1

  公开（公告）日：1992-05-05

  The present invention relates to a compound having the formula below which have an excellent cardiotonic action: ##STR1## wherein Y represents C.sub.1-4 alkylene which may be substituted by C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl, or ##STR2## where each r.sup.1 and r.sup.2 represents hydrogen, C.sub.1-18 alkyl, C.sub.1-5 alkoxy, C.sub.1-5 alkylthio C.sub.1-5 alkyl, C.sub.1-5 alkoxycarbonyl or benzyl); and R.sub.1 represents hydrogen, C.sub.1-5 alkyl which may be substituted by C.sub.1-5 alkoxy, acetyl or C.sub.2-5 alkenyl; and R.sub.2 represents hydrogen or methyl; and each R.sub.3 and R.sub.4 represents hydrogen, halogen, hydroxy, C.sub.1-5 alkyl, or C.sub.1-5 alkoxy; and R.sub.5 represents hydrogen or C.sub.1-5 alkyl which may be substituted by hydroxy; and R.sub.4 and R.sub.5 may form ring by joining each other; and represents single or double bond.

  本发明涉及一种具有下面式的化合物，具有优良的心力作用：##STR1## 其中，Y代表可能被C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基取代的C.sub.1-4烷基，或##STR2## 其中每个r.sup.1和r.sup.2代表氢，C.sub.1-18烷基，C.sub.1-5烷氧基，C.sub.1-5烷基硫基，C.sub.1-5烷氧羰基或苄基）；以及R.sub.1代表氢，可能被C.sub.1-5烷氧基，乙酰基或C.sub.2-5烯基取代的C.sub.1-5烷基；R.sub.2代表氢或甲基；每个R.sub.3和R.sub.4代表氢，卤素，羟基，C.sub.1-5烷基或C.sub.1-5烷氧基；R.sub.5代表氢或可能被羟基取代的C.sub.1-5烷基；R.sub.4和R.sub.5可以通过彼此连接形成环；并且代表单键或双键。
• Tamura, Yasumitsu; Fukumori, Satoshi; Wada, Akimori, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 5, p. 1692 - 1696
  作者：Tamura, Yasumitsu、Fukumori, Satoshi、Wada, Akimori、Okuyama, Shigehiro、Adachi, Junko、Kita, Yasuyuki

  DOI：——

  日期：——
• Dibenzodiazepines in reactions of 2-acetyl-dimedone with 3,4-diaminobenzophenone
  作者：A. Ya. Strakov、M. V. Petrova、N. N. Tonkikh、A. I. Gurkovskii、Yu. Popelis、G. P. Kreishman、S. V. Belyakov

  DOI：10.1007/bf02253113

  日期：1997.3
• Regioselective synthesis of fluorine-containing indazolones from 2-acylcyclohexane-1,3-diones
  作者：T. S. Khlebnicova、V. G. Isakova、F. A. Lakhvich、P. V. Kurman

  DOI：10.1007/s10593-008-0044-2

  日期：2008.3

  New regioisomeric indazolones containing fluorine atoms in the aromatic ring have been synthesized in high yield by the interaction of 2-acylcyclohexane-1,3-diones, and of their enol methyl ethers, obtained by methylating the initial beta,beta '-triketones with dimethyl sulfate in the presence of calcined potassium carbonate, with 4-fluorophenylhydrazine hydrochloride and with pentafluorophenylhydrazine. The structures of the synthesized compounds were confirmed by data of IR and H-1, C-13, and F-19 NMR spectra.
• Lakhvich, F. A.; Lis, L. G.; Rubinov, D. B., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 4, p. 678 - 682
  作者：Lakhvich, F. A.、Lis, L. G.、Rubinov, D. B.、Borisov, E. V.

  DOI：——

  日期：——