3-Methylcyclopentadecane-1,5-dione | 21890-10-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Methylcyclopentadecane-1,5-dione
• CAS: 21890-10-8
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.39
• InChiKey: FRTDAFYYAIXLRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] SUBSTITUTED CYCLOHEXENONES<br/>[FR] CYCLOHEXÉNONES SUBSTITUÉES
  申请人：FIRMENICH & CIE

  公开号：WO2009095804A1

  公开（公告）日：2009-08-06

  The present invention relates to a method of preparation of an optically active cyclohexenone derivative of Formula (I) O R 1 R 2 * R 1 and wherein R1 and R2 are organic residues.

  本发明涉及一种制备光学活性环己烯酮衍生物的方法，其化学式为（I）OR1R2*，其中R1和R2为有机残基。
• [EN] SYNTHESIS OF 14-METHYL-16-OXABICYCLO[10.3.1]HEXADEC-12-ENE<br/>[FR] SYNTHÈSE DE 14-MÉTHYL-16-OXABICYCLO [10.3.1] HEXADÉC-12-ÈNE
  申请人：INT FLAVORS & FRAGRANCES INC

  公开号：WO2020150454A1

  公开（公告）日：2020-07-23

  Disclosed is a scalable process for preparation of 14-methyl-16-oxabicyclo[10.3.1]hexadec-12-ene (BCE), a key intermediate for manufacture of fragrance ingredient 3-methylcyclopentadecenone (MUSCENONE®) and analogs through reaction of 3-Methyl-1,5-cyclopentadecanedione (MCPD) and analogs with a metal or metalloid alkoxide in high yield and purity.

  本发明公开了一种可扩展的制备14-甲基-16-氧杂双环[10.3.1]十六烷-12-烯（BCE）的过程，该过程通过将3-甲基-1,5-环戊二酮（MCPD）和类似物与金属或类金属烷氧基反应，高产率高纯度制备香料成分3-甲基环戊十五烯酮（MUSCENONE®）和类似物的关键中间体。
• METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND
  申请人：Kao Corporation

  公开号：US20170362153A1

  公开（公告）日：2017-12-21

  Provided is a method for producing a compound represented by general formula (I) by oxidative cleavage of a compound of formula (II), which is a bicyclic tetrasubstituted olefin compound, using hydrogen peroxide. The method for producing a compound represented by general formula (I) includes a step of subjecting a compound represented by general formula (II) to oxidative cleavage using hydrogen peroxide in the presence of an acid catalyst or in the presence of a tungstic acid compound to obtain the compound represented by general formula (I): [In the formulae, formula -A 1 - (where the front bond denotes a bond that bonds with a carbon atom C 1 while the back bond denotes a bond that bonds with a carbon atom C 2 ) is an alkylene group having 2 to 6 carbon atoms that may have been substituted and that may further include an ether bond, an ester bond, a secondary amino group, a thioether group, or these, and formula -A 2 - (where the front bond denotes a bond that bonds with a carbon atom C 1 while the back bond denotes a bond that bonds with a carbon atom C 2 ) is an alkylene group having 4 to 10 carbon atoms that may have been substituted and that may further include an ether bond, an ester bond, a secondary amino group, a thioether group, or these.]

  提供了一种通过使用过氧化氢对式为(II)的双环四取代烯烃化合物进行氧化裂解来制备通式(I)化合物的方法。制备通式(I)化合物的方法包括以下步骤：将通式(II)化合物在酸催化剂或钨酸化合物存在下，使用过氧化氢进行氧化裂解，以获得通式(I)化合物。[在公式中，公式-A1-（其中前面的键表示与碳原子C1结合的键，而后面的键表示与碳原子C2结合的键）是具有2至6个碳原子的脂肪族基，可能已被取代，并且可能进一步包括醚键，酯键，次级氨基，硫醚基或这些基团，而公式-A2-（其中前面的键表示与碳原子C1结合的键，而后面的键表示与碳原子C2结合的键）是具有4至10个碳原子的脂肪族基，可能已被取代，并且可能进一步包括醚键，酯键，次级氨基，硫醚基或这些基团。]
• Substituted Cyclohexanones
  申请人：Knopff Oliver

  公开号：US20080228008A1

  公开（公告）日：2008-09-18

  The present invention relates to a cyclohexanone derivative of formula in the form of any one of its isomers or mixture thereof. The invention concerns also the preparation and the use of this derivative. The compounds of the invention are useful starting materials for the preparation of various optically active compounds.

  本发明涉及一种环己酮衍生物，其化学式为任意一个异构体或其混合物。本发明还涉及该衍生物的制备和使用。本发明的化合物是制备各种光学活性化合物的有用起始材料。
• [EN] A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOHEXENONES<br/>[FR] PROCEDE DE PREPARATION DE CYCLOHEXENONES OPTIQUEMENT ACTIFS
  申请人：FIRMENICH & CIE

  公开号：WO2005077875A1

  公开（公告）日：2005-08-25

  The present invention relates to a process for the preparation of an optically active 5-substituted cyclohexenone (II) by treating an achiral macrocyclic 3-substituted-1,5-diketone (I) in the presence of an optically active sodium, potassium or cesium alkoxide.

  本发明涉及一种方法，通过在手性钠、钾或铯醇盐的存在下处理非手性大环3-取代-1,5-二酮(I)，制备出光学活性的5-取代环己烯酮(II)。