2,2,4,4-tetramethyl-1,3-cyclobutandiol diethyl ether

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4,4-tetramethyl-1,3-cyclobutandiol diethyl ether
• 英文别名: 2,4-Diethoxy-1,1,3,3-tetramethylcyclobutane；2,4-diethoxy-1,1,3,3-tetramethylcyclobutane
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: PAQMDJWPQVBGNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫酸二乙酯 、 2,2,4,4-四甲基-1,3-环丁二醇 在 二乙二醇单甲醚 、 sodium 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 水 、 甲苯 为溶剂， 80.0~135.0 ℃ 、15.0 kPa 条件下， 反应 26.75h， 以212 g的产率得到2,2,4,4-tetramethyl-1,3-cyclobutandiol diethyl ether
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS
  [FR] PROCÉDÉ DE PRÉPARATION D'ÉTHERS DE DIOLS CYCLOALIPHATIQUES OU ARALIPHATIQUES

  摘要：

  本发明涉及一种制备环脂环烷基或芳基二醇的二烷氧基或二烯氧基醚的方法，包括（i）在无水无氢的有机溶剂中，在至少一种式（I）的单醚-单醇的催化量存在下，将环脂环烷基或芳基二醇与金属钠反应，其中式中Y相同或不同，选择自C2-C4-烷基，n是1到10之间的整数，R1是C1-C4-烷基，从而得到相应的二钠二醇酸盐，将步骤（i）中得到的二钠二醇酸盐与烷基化烯基化试剂反应。

  公开号：

  WO2019110464A1

文献信息

• [EN] ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS<br/>[FR] ESTERS ET ÉTHERS DE 2,2,4,4-TÉTRAMÉTHYLCYCLOBUTANE -1,3-DIOL DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2019048544A1

  公开（公告）日：2019-03-14

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及使用一般式(I)的化合物，其中R1是C1-C4-烷基或-(C=0)-R3，R2是氢、C1-C4-烷基或-(C=0)-R4，R3和R4彼此独立地选自氢和C1-C4-烷基的群，其立体异构体或其立体异构体混合物，作为香料化学品，以及包含至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物的香料化学品组合物，以及制备香味即用组合物的方法，该方法包括将至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物纳入即用组合物中。本发明还涉及一般式(I)化合物的特定醚和特定酯以及它们的制备方法。
• ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3453750A1

  公开（公告）日：2019-03-13

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=O)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=O)-Ra, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready-to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及通式（I）化合物的用途 其中 R1 是 C1-C4- 烷基或-(C=O)-R3，R2 是氢、C1-C4-烷基或-(C=O)-Ra，且 R3 和 R4 相互独立地选自氢和 C1-C4- 烷基、其立体异构体或其立体异构体混合物所组成的组、一种立体异构体或其立体异构体混合物的芳香化学组合物，以及一种制备芳香即用组合物的方法，该方法包括将至少一种通式(I)化合物、其立体异构体或其立体异构体混合物掺入一种即用组合物中。本发明还涉及通式（I）化合物的特定醚和特定酯及其制备方法。
• Method for preparing ethers of cycloaliphatic or araliphatic diols
  申请人：BASF SE

  公开号：US11078146B2

  公开（公告）日：2021-08-03

  The present invention relates to a method for preparing a dialkyi or dialkenyl ether of a cycloaliphatic or araliphatic diol, which comprises (i) reacting the cycloaliphatic or araliphatic diol with metallic sodium in an aprotic organic solvent in the presence of a catalytic amount of at least one monoether-monoalcohol of formula (I) wherein Y is identical or different and selected from C2-C4-alkylene, n is an integer in the range from 1 to 10, and R1 is C1-C4-Alkyl, whereby the corresponding disodium dialcoholate is obtained, reacting the disodium dialcoholate obtained in step (i) with an alkylation alkenylation reagent.

  本发明涉及一种制备环脂族或脂肪族二元醇的二酮基或二烯基醚的方法，其包括 (i) 在催化量的至少一种式(I)的单醚一元醇存在下，在非沸腾有机溶剂中使环脂族或脂肪族二元醇与金属钠反应，式(I)中Y为相同或不同且选自C2-C4-烯烃、n 为 1-10 之间的整数，R1 为 C1-C4 烷基，将步骤(i)中得到的二醇二钠与烷基化烯基化试剂反应，可得到相应的二醇二钠。
• METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS
  申请人：BASF SE

  公开号：EP3720835B1

  公开（公告）日：2022-07-13
• [EN] METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ÉTHERS DE DIOLS CYCLOALIPHATIQUES OU ARALIPHATIQUES
  申请人：BASF SE

  公开号：WO2019110464A1

  公开（公告）日：2019-06-13

  The present invention relates to a method for preparing a dialkyi or dialkenyl ether of a cycloaliphatic or araliphatic diol, which comprises (i) reacting the cycloaliphatic or araliphatic diol with metallic sodium in an aprotic organic solvent in the presence of a catalytic amount of at least one monoether- monoalcohol of formula (I) wherein Y is identical or different and selected from C2-C4-alkylene, n is an integer in the range from 1 to 10, and R1 is C1-C4-Alkyl, whereby the corresponding disodium dialcoholate is obtained, reacting the disodium dialcoholate obtained in step (i) with an alkylation alkenylation reagent.

  本发明涉及一种制备环脂环烷基或芳基二醇的二烷氧基或二烯氧基醚的方法，包括（i）在无水无氢的有机溶剂中，在至少一种式（I）的单醚-单醇的催化量存在下，将环脂环烷基或芳基二醇与金属钠反应，其中式中Y相同或不同，选择自C2-C4-烷基，n是1到10之间的整数，R1是C1-C4-烷基，从而得到相应的二钠二醇酸盐，将步骤（i）中得到的二钠二醇酸盐与烷基化烯基化试剂反应。