3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclopenten-1-on | 58626-50-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclopenten-1-on
• 英文别名: 1-Hydroxymethyl-3-oxo-2,5,5-trimethyl-cyclopent-1-ene；3-(hydroxymethyl)-2,4,4-trimethylcyclopent-2-en-1-one
• CAS: 58626-50-9
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: WZWCBYZQVBKSSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclopenten-1-on 在 Lindlar's catalyst 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 2,2'-dinorcanthaxanthin
  参考文献：
  名称：

  Die Synthese von 2,2?-Dinor-carotinoiden

  摘要：

  The Synthesis of 2,2′‐Dinor‐carotenoids.2,2′‐Dinor‐carotenoids which include the naturally occurring actinioerythrol (1) and the blue carotenoid violerythrin (2) have been obtained by total synthesis. The synthesis starts with acetone and acetylene and yields compounds 1 and 2 as well as other carotenoids of the same type.

  DOI：

  10.1002/hlca.19760590211
• 作为产物：
  描述：

  2-methyl-2-chlorodimedone 在 sodium carbonate 作用下， 以 paraffin 为溶剂， 生成 3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclopenten-1-on
  参考文献：
  名称：

  Die Synthese von 2,2?-Dinor-carotinoiden

  摘要：

  The Synthesis of 2,2′‐Dinor‐carotenoids.2,2′‐Dinor‐carotenoids which include the naturally occurring actinioerythrol (1) and the blue carotenoid violerythrin (2) have been obtained by total synthesis. The synthesis starts with acetone and acetylene and yields compounds 1 and 2 as well as other carotenoids of the same type.

  DOI：

  10.1002/hlca.19760590211

文献信息

• Novel polyene compounds and process therefor
  申请人：Hoffmann-La Roche Inc.

  公开号：US03975445A1

  公开（公告）日：1976-08-17

  A novel process for the preparation of polyene compounds useful as coloring agents in foods, cosmetics, and pharmaceutical preparations. Novel polyenes are also disclosed. The present invention relates to polyene compounds. More particularly, the invention is concerned with novel carotenoid polyene compounds, derivatives thereof and a process for their manufacture.

  一种新型制备聚烯烃化合物的工艺，该化合物可用作食品、化妆品和药物制剂的着色剂。同时还揭示了新型聚烯烃。本发明涉及聚烯烃化合物，更具体地说，涉及新型类胡萝卜素聚烯烃化合物、其衍生物及其制造工艺。
• US3975445A
  申请人：——

  公开号：US3975445A

  公开（公告）日：1976-08-17
• Die Synthese von 2,2?-Dinor-carotinoiden
  作者：Frank Kienzle、Rudolf E. Minder

  DOI：10.1002/hlca.19760590211

  日期：1976.3.10

  The Synthesis of 2,2′‐Dinor‐carotenoids.2,2′‐Dinor‐carotenoids which include the naturally occurring actinioerythrol (1) and the blue carotenoid violerythrin (2) have been obtained by total synthesis. The synthesis starts with acetone and acetylene and yields compounds 1 and 2 as well as other carotenoids of the same type.