3-<4-Isopropyl-phenyl>-butanol-(1) | 18846-82-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-<4-Isopropyl-phenyl>-butanol-(1)
• 英文别名: (+/-)-2-p-cumenyl-butanol-(4)；(+/-)-4-Hydroxy-2-(4-isopropyl-phenyl)-butan；3-(4-Propan-2-ylphenyl)butan-1-ol
• CAS: 18846-82-7
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: UCNHRFLBPNUFSH-UHFFFAOYSA-N

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：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-<4-Isopropyl-phenyl>-butanol-(1) 在 铜 作用下， 260.0 ℃ 、1.6 kPa 条件下， 生成 3-(4'-isopropylphenyl)-3-methylpropanal
  参考文献：
  名称：

  Scriabine,I., Bulletin de la Societe Chimique de France, 1961, p. 1194 - 1198

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(4-isopropylphenyl)but-3-en-1-ol 在 氢气 、 铑 、 三苯基膦 作用下， 生成 3-<4-Isopropyl-phenyl>-butanol-(1)
  参考文献：
  名称：

  Reetz, Manfred T.; Guo, Hongchao; Jun-An, Ma., Journal of the American Chemical Society, 2009, vol. 131, p. 4136 - 4142

  摘要：

  DOI：

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。
• 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。
• Polyterpene und Polyterpenoide LXXX. Zur Kenntnis der Alantolactone. Synthese des 1,4-Dimethyl-6-isopropyl- und des 1,5-Dimethyl-7-isopropyl-naphtalins
  作者：L. Ruzicka、P. Pieth、Th. Reichstein、L. Ehmann

  DOI：10.1002/hlca.19330160137

  日期：——
• VERFAHREN ZUR HERSTELLUNG M- ODER P-SUBSTITUIERTER PHENYLALKANOLE DURCH ALKYLIERUNG
  申请人：BASF SE

  公开号：EP2490992B1

  公开（公告）日：2014-01-29
• VERFAHREN ZUR HERSTELLUNG M-SUBSTITUIERTER PHENYLALKANOLE DURCH ISOMERISIERUNG
  申请人：BASF SE

  公开号：EP2490993A2

  公开（公告）日：2012-08-29