3-(3-叔丁基苯基)丙醛 | 1023288-21-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3-叔丁基苯基)丙醛
• 英文名称: 3-(3-tert-butylphenyl)propanal
• 英文别名: m-t-butylphenyl propionaldehyde；Benzenepropanal, 3-(1,1-dimethylethyl)-
• CAS: 1023288-21-2
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: APFNXQQLJSEQBM-UHFFFAOYSA-N

物化性质

• LogP：
  3.720 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(3-叔丁基苯基)丙醛 、 乙二醇 在 对甲苯磺酸 作用下， 以 环己烷 为溶剂， 反应 2.0h， 以95%的产率得到2-[2-(3-tert-butylphenyl)ethyl]-1,3-dioxolane
  参考文献：
  名称：

  WO2008/53148

  摘要：

  公开号：
• 作为产物：
  描述：

  一氧化碳 、 m-tert-butylstyrene 在 Rh(acac)(CO)2 亚磷酸三苯酯 、 氢气 作用下， 以 甲苯 为溶剂， 80.0 ℃ 、100.0 kPa 条件下， 反应 6.0h， 以63%的产率得到3-(3-叔丁基苯基)丙醛
  参考文献：
  名称：

  WO2008/53148

  摘要：

  公开号：

文献信息

• METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION
  申请人：Lanver Andreas

  公开号：US20120209031A1

  公开（公告）日：2012-08-16

  The invention relates to a process for the preparation of m-substituted phenylalkanols of the formula (I) in which R 1 is C 1 -C 5 -alkyl and R 2 , R 3 , R 4 and R 5 , independently of one another, are hydrogen or methyl, wherein a p-substituted phenylalkanol of the formula (II) in which R 1 , R 2 , R 3 , R 4 and R 5 having the meanings given under formula (I), is isomerized in the presence of a Friedel-Crafts catalyst to give an m-substituted phenylalkanol of the formula (I). From the m-substituted phenylalkanols of the formula (I) it is possible to form, by oxidation or dehydrogenation, as products of value, the corresponding aldehydes, which are known as fragrances and aroma chemicals.

  该发明涉及一种制备式(I)的m-取代苯基烷醇的方法，其中R1为C1-C5-烷基，R2、R3、R4和R5分别独立地为氢或甲基，其中在Friedel-Crafts催化剂存在下，式(I)给定的R1、R2、R3、R4和R5的含义的p-取代苯基烷醇(II)异构化为m-取代苯基烷醇(I)。通过氧化或脱氢，可以从式(I)的m-取代苯基烷醇中形成具有价值的产品，即对应的醛，这些醛被称为香料和香精化学品。
• Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof
  申请人：O'Laughlin Industries, Co. Ltd.

  公开号：EP2233556A1

  公开（公告）日：2010-09-29

  A product of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde, wherein m-tert-butylphenyl propionaldehyde is in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde. Also a method including; adding dropwise an aldehyde solution to a basic solution; and, collecting a fraction of p-tert-butyl cinnamic aldehyde m-tert-butyl cinnamic aldehyde therefrom; and, adding a transition metal catalyst to a solution of the p-tert-butyl cinnamic aldehyde in ethanol, and, collecting therefrom by distillation a product ofp-tert-butylphenyl propionaldehyde and the meta isomer m-tert-butylphenyl propionaldehyde; wherein the product comprises m-tert-butylphenyl propionaldehyde in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde.

  一种由对叔丁基苯丙醛和间叔丁基苯丙醛生成的产品，其中间叔丁基苯丙醛的含量在对叔丁基苯丙醛和间叔丁基苯丙醛的组合中为6%至60%。另外，一种方法包括：将醛溶液滴加到碱性溶液中；收集其中的对叔丁基肉桂醛和间叔丁基肉桂醛的部分；将过渡金属催化剂加入对叔丁基肉桂醛在乙醇中的溶液中，并通过蒸馏从中收集一种由对叔丁基苯丙醛和间异构体间叔丁基苯丙醛生成的产品；其中该产品包含的间叔丁基苯丙醛的含量在对叔丁基苯丙醛和间叔丁基苯丙醛的组合中为6%至60%。
• Propanal Production Methods
  申请人：Gao Zhiguo

  公开号：US20100256421A1

  公开（公告）日：2010-10-07

  A product of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde, wherein m-tert-butylphenyl propionaldehyde is in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde. Also a method including; adding dropwise an aldehyde solution to a basic solution; and, collecting a fraction of p-tert-butyl cinnamic aldehyde m-tert-butyl cinnamic aldehyde therefrom; and, adding a transition metal catalyst to a solution of the p-tert-butyl cinnamic aldehyde in ethanol, and, collecting therefrom by distillation a product of p-tert-butylphenyl propionaldehyde and the meta isomer m-tert-butylphenyl propionaldehyde; wherein the product comprises m-tert-butylphenyl propionaldehyde in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde.

  一种由对叔丁基苯基丙醛和间叔丁基苯基丙醛制成的产品，其中间叔丁基苯基丙醛在p-叔丁基苯基丙醛和间叔丁基苯基丙醛的组合中占6%至60%的比例。还包括一种方法：将醛溶液滴加到碱性溶液中；收集p-叔丁基肉桂醛和间叔丁基肉桂醛的部分；将过渡金属催化剂加入乙醇中p-叔丁基肉桂醛的溶液中，并通过蒸馏从中收集一种由对叔丁基苯基丙醛和间异构体间叔丁基苯基丙醛制成的产品；其中该产品包含的间叔丁基苯基丙醛在p-叔丁基苯基丙醛和间叔丁基苯基丙醛的组合中占6%至60%的比例。
• PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION
  申请人：Lanver Andreas

  公开号：US20120209030A1

  公开（公告）日：2012-08-16

  The invention relates to a process for the preparation of m- or p-substituted phenylalkanols of the formula (I) in which R 1 is bonded to the phenyl ring in the m- or p-position and is C 1 -C 5 -alkyl, and R 2 , R 3 , R 4 and R 5 , independently of one another, are hydrogen or methyl, wherein an unsubstituted phenylalkanol of the formula (II) in which R 2 , R 3 , R 4 and R 5 have the meanings given under formula (I) is alkylated together with a C 1 -C 5 -alkyl halide of the formula (III) R 1 -Hal  (III), in which R 1 has the meaning given under formula (I) and Hal is halogen, in the presence of a Friedel-Crafts catalyst to give an m- or p-alkyl-substituted phenylalkanol of the formula (I), then the reaction mixture is worked-up and the desired m- or p-alkyl-substituted phenylalkanol of the formula (I) is separated off, the other formed by-products are returned to the reaction mixture and these are isomerized in the presence of a Friedel-Crafts catalyst to give the desired m- or p-alkyl-substituted phenylalkanol. From the m- or p-alkyl-substituted phenylalkanols of the formula (I), it is possible to form, by oxidation or dehydrogenation, as products of value, the corresponding aldehydes, which play an interesting role as fragrances and aroma chemicals.

  本发明涉及一种制备公式（I）中m-或p-取代苯基丙醇的方法，其中R1与苯环中的m-或p-位置相结合，为C1-C5烷基，而R2、R3、R4和R5独立地为氢或甲基。在存在弗里德尔-克拉夫茨催化剂的情况下，将具有公式（II）中R2、R3、R4和R5给定含义的未取代苯基丙醇与公式（III）中的C1-C5烷基卤代物R1-Hal（III）一起烷基化，其中R1具有公式（I）中给定的含义，Hal是卤素，以得到m-或p-烷基取代苯基丙醇的公式（I）式，然后处理反应混合物并分离所需的m-或p-烷基取代苯基丙醇的公式（I）式，将其他形成的副产物返回反应混合物并在弗里德尔-克拉夫茨催化剂的存在下进行异构化，以得到所需的m-或p-烷基取代苯基丙醇。从公式（I）中的m-或p-烷基取代苯基丙醇中，可以通过氧化或脱氢形成有价值的产品，即对应的醛，这些醛在香料和香气化学品中具有有趣的作用。
• Novel Fragrance Compounds
  申请人：Fortineau Anne Dominique

  公开号：US20100069287A1

  公开（公告）日：2010-03-18

  A compound having the structure (A) where R1 is C1 to C5 alkyl, and R2 to R5 are independently selected from H and methyl, having a strong odour and for use as a perfumery ingredient, particularly in Muguet accords/fragrances, is provided.

  提供一种具有结构（A）的化合物，其中R1为C1至C5烷基，R2至R5分别独立选择H和甲基，具有强烈的气味，用作香料成分，特别是在鸢尾花香调/香水中。