4-hydroxycycloheptanone | 67963-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxycycloheptanone
• 英文别名: 4-hydroxy-cycloheptanone；4-Hydroxy-cycloheptanon；4-hydroxycycloheptan-1-one
• CAS: 67963-12-6
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: OQDFQJVNGGPWAI-UHFFFAOYSA-N

物化性质

• 熔点：
  22-23 °C
• 沸点：
  104-105 °C(Press: 2 Torr)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-hydroxycycloheptanone 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以99%的产率得到1,4-环庚烷二酮
  参考文献：
  名称：

  双环，船形应对重排。通过节点碳原子探测构象偏好

  摘要：

  双-(双氘代亚甲基)-1,4 环己烷和-环庚烷转位热对二亚甲基-1,4 四氘代-2,2,3,3 环己烷和-环庚烷分别

  DOI：

  10.1021/ja00306a023
• 作为产物：
  描述：

  4-羟基环庚-2-烯-1-酮 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 4-hydroxycycloheptanone
  参考文献：
  名称：

  Suzuki, Masaaki; Oda, Yoshihisa; Hamanaka, Nobuyuki, Heterocycles, 1990, vol. 30, # 1, p. 517 - 535

  摘要：

  DOI：

文献信息

• Ruthenium-catalyzed isomerization of allylic alcohols to saturated ketones
  作者：Jan-E. Bäckvall、Ulrika Andreasson

  DOI：10.1016/s0040-4039(00)73934-7

  日期：1993.1

  Highly efficient ruthenium-catalyzed isomerizations of allylic alcohols to ketones have been developed. A dramatic rate enhancement by the presence of a catalytic amount of base was observed in the isomerization catalyzed by either RuCl2(PPh3) (3) or [RuCl2(p-cymene)]2 (4). Dimetallic catalyst 5, which can itself serve as a base, led to a rapid reaction without the addition of extra base.

  已经开发了高效钌催化的烯丙基醇向酮的异构化。在通过RuCl 2（PPh 3）（3）或[RuCl 2（对苯甲基）] 2（4）催化的异构化中，观察到由于催化量的碱的存在而引起的速率显着提高。本身可以用作碱的双金属催化剂5导致快速反应而无需添加额外的碱。
• Photosensitive heat resistant resin precursor composition
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1388758A1

  公开（公告）日：2004-02-11

  A photosensitive resin precursor composition exhibiting an excellent film thickness uniformity contains: a heat resistant resin precursor polymer; a radiation sensitive compound; and a solvent expressed by formula (1): R1 represents an alkyl group having a carbon number in the range of 1 to 3. R2, R3, R4, and R5 each represent hydrogen or an alkyl group having a carbon number in the range of 1 to 3, and 1 represents an integer in the range of 0 to 3.

  一种具有优异膜厚均匀性的光敏树脂前体组合物包含：一种耐热树脂前体聚合物；一种辐射敏感化合物；以及一种由式（1）表示的溶剂： R1 代表碳数在 1 至 3 之间的烷基。R2、R3、R4 和 R5 分别代表氢或碳原子数在 1 至 3 之间的烷基，1 代表 0 至 3 之间的整数。
• Photosensitive resin precursor composition
  申请人：Toray Industries, Inc.

  公开号：US20040053156A1

  公开（公告）日：2004-03-18

  A photosensitive resin precursor composition exhibiting an excellent film thickness uniformity contains: a heat resistant resin precursor polymer; a radiation sensitive compound; and a solvent expressed by formula (1): 1 R 1 represents an alkyl group having a carbon number in the range of 1 to 3. R 2 , R 3 , R 4 , and R 5 each represent hydrogen or an alkyl group having a carbon number in the range of 1 to 3, and l represents an integer in the range of 0 to 3.

  一种具有优异膜厚均匀性的光敏树脂前体组合物包含：耐热树脂前体聚合物；辐射敏感化合物；以及由式（1）表示的溶剂： 1 R 1 代表碳原子数在 1 至 3 之间的烷基。R 2 , R 3 , R 4 和 R 5 各自代表氢或碳原子数在 1 至 3 之间的烷基，l 代表 0 至 3 之间的整数。
• Intramolecular nucleophilic acyl substitution reactions of halo-substituted esters and lactones. New applications of organosamarium reagents
  作者：Gary A. Molander、Jeffrey A. McKie

  DOI：10.1021/jo00077a053

  日期：1993.12

  Intramolecular nucleophilic acyl substitution reactions involving a broad range of halo substituted carboxylic acid derivatives have been accomplished in excellent yield employing samarium(II) iodide as the reductive coupling agent. Although particular substrates cyclized most effectively in THF in the presence of tripiperidinophosphine oxide, carboxylic acid esters, the focus of this report, cyclize equally well without such an additive in the presence of a catalytic quantity of iron(III) complexes. Thus a comprehensive series of halo substituted esters were cyclized in excellent yield to the corresponding 4-, 5-, and 6-membered carbocycles. The reaction is extremely mild and selective as demonstrated by experiments wherein alkyl chlorides, acetals, and olefins remain completely intact under the reaction conditions. In addition to introducing a convenient procedure for preparing stereodefined spirocyclic systems, a new ring expansion sequence has been developed that appears extremely general for the preparation of various ring systems.
• Palladium(0) catalyzed reaction of 1,4-epiperoxides. Conversion of a prostaglandin endoperoxide to primary prostaglandins
  作者：M. Suzuki、R. Noyori、N. Hamanaka

  DOI：10.1021/ja00408a072

  日期：1981.9