4-(1,1-dimethylethyl)-2-(1-methylethyl)-5-methylphenol | 30061-93-9

• 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: 4-(1,1-dimethylethyl)-2-(1-methylethyl)-5-methylphenol
• 英文别名: Methyl-3-isopropyl-6-t-butyl-4-phenol；4-tert-Butyl-5-methyl-2-(propan-2-yl)phenol；4-tert-butyl-5-methyl-2-propan-2-ylphenol
• CAS: 30061-93-9
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: RIQFGDIBJAYAEV-UHFFFAOYSA-N

物化性质

• 熔点：
  75.5-76.5 °C(Solv: hexane (110-54-3))
• 沸点：
  135-145 °C(Press: 6 Torr)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  聚合甲醛 、 4-(1,1-dimethylethyl)-2-(1-methylethyl)-5-methylphenol 、 硫酸 生成 6-tert-butyl-5-methyl-8-propan-2-yl-4H-1,3-benzodioxine
  参考文献：
  名称：

  CHRISTENSON, PHILIP A.;DRAKE, BRIAN;RIKER, PAUL J.

  摘要：

  DOI：
• 作为产物：
  描述：

  百里酚 在 硫酸 、 溶剂黄146 作用下， 以 叔丁醇 为溶剂， 生成 4-(1,1-dimethylethyl)-2-(1-methylethyl)-5-methylphenol
  参考文献：
  名称：

  POLY-ALKYLATED BENZODIOXIN MUSK COMPOSITIONS

  摘要：

  公开号：

  EP0462121B1

文献信息

• Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols
  申请人：——

  公开号：US20030100802A1

  公开（公告）日：2003-05-29

  A process for making a compound of the formula 1

  一种制备化合物1的方法。
• Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols
  申请人：——

  公开号：US20040049087A1

  公开（公告）日：2004-03-11

  A process for making a compound of the formula I 1

  制备化合物I1的过程
• Poly-alkylated benzodioxin musk compositions
  申请人：BASF K&F Corporation

  公开号：US04880775A1

  公开（公告）日：1989-11-14

  The present invention relates to novel poly-alkylated benzodioxin compounds possessing a musk-like aroma which are useful as fragrance materials. The compounds of the invention have the formula: ##STR1## where R.sup.1 to R.sup.4 are hydrogen or lower alkyl (C.sub.1 to C.sub.5), provided that the compound has no more than 18 carbon atoms. The invention provides for synthesis of a novel phenolic intermediate and synthesis of the compounds of the invention. The invention also provides fragrance compositions which utilize the compounds of the invention to modify, enhance, or impart a musk-like aroma to perfume compositions, colognes and perfumed articles.

  本发明涉及一种新型的多烷基苯并二氧杂环化合物，具有麝香般的香气，可用作香料材料。本发明的化合物具有以下式子：##STR1## 其中，R.sup.1至R.sup.4是氢或较低的烷基（C.sub.1至C.sub.5），前提是该化合物的碳原子数不超过18个。本发明提供了一种新型的酚中间体的合成方法和本发明化合物的合成方法。本发明还提供了利用本发明化合物来改变、增强或赋予香水、古龙香水和带香物品麝香般香气的香料组合物。
• Process for preparation of polymeric, phosphorus-containing compositions
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP1586598A1

  公开（公告）日：2005-10-19

  A polymeric, phosphorus-containing composition derived from aryl to aryl coupling of a substituted 2,2'-dihydroxyl-1,1'-binaphthalene or a substituted 2,2'-dihydroxyl-1,1'-biphenylene and phosphonylated at the dioxyl of said structure with at least one diaryloxyphosphite [-P(-O-Ar)2], diarylphosphine [-P(Ar)2] and/or aryl, aryloxyphosphinite [-P(Ar)(-O-Ar)], where each Ar is individually phenyl, substituted phenyl, naphthyl, and substituted naphthyl, provided that the two Ar groups that are directly or indirectly bonded to the same phosphorus atom may be linked to each other by a linking unit selected from direct bond, alkylidene, secondary or tertiary amine, oxygen, sulfide, sulfone, and sulfoxide. Polymerization by aryl to aryl coupling is achieved by direct oxidative coupling of the binaphthalene or biphenylene, copolymerization with an aromatic comonomer, or copolymerization with an aldehyde. The phosphonylation may be performed prior to or after polymerization. The polymeric, phosphorus-containing compositions in combination with a Group VIII metal and, optionally a Lewis acid, are particularly useful in the catalytic hydrocyanation of unsaturated organic compounds, isomerization of unsaturated, branched nitriles to unsaturated linear nitriles, and hydroformylation of unsaturated organic compounds.

  一种聚合物含磷组合物，由取代的 2,2'-二羟基-1,1'-联萘或取代的 2,2'-二羟基-1、或取代的 2,2'-二羟基-1,1'-联苯，并在所述结构的二恶英处用至少一种二芳基亚磷酸[-P(-O-Ar)2]、二芳基膦[-P(Ar)2]和/或芳基、芳氧基膦[-P(Ar)(-O-Ar)]进行膦酰化、其中每个 Ar 单独为苯基、取代苯基、萘基和取代萘基，但直接或间接键合到同一磷原子上的两个 Ar 基团可通过选自直接键、亚烷基、仲胺或叔胺、氧、硫化物、砜和亚砜的连接单元相互连接。芳基与芳基的偶联聚合可通过二萘或联苯的直接氧化偶联、与芳香族共聚单体的共聚或与醛的共聚来实现。膦酰化可在聚合之前或之后进行。聚合物、含磷组合物与第八族金属和路易斯酸（可选）结合，特别适用于不饱和有机化合物的催化加氢氰化、不饱和支链腈与不饱和线性腈的异构化以及不饱和有机化合物的加氢甲酰化。
• Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols, 3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols
  申请人：INVISTA Technologies S.à.r.l.

  公开号：EP2279993A1

  公开（公告）日：2011-02-02

  A process for making a compound of Formula (I) by oxidative coupling of a compound of the formula (11) in the presence of a molecular oxygen-containing gas and a copper-containing catalyst produced by contacting a copper halide salt with an organic diamine compound. Some compounds of the formula (I) are also claimed.

  一种制造式(I)化合物的工艺，其方法是在含氧分子气体和含铜催化剂存在下，将式(11)化合物氧化偶联，该催化剂是通过将卤化铜盐与有机二胺化合物接触而制得的。本发明还要求得到一些式(I)化合物。