4-(3-methyl-3-butenyl)phenol | 18272-69-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(3-methyl-3-butenyl)phenol
• 英文别名: 3-Methyl-1-(4-hydroxyphenyl)-3-buten；4-(3-methyl-but-3-enyl)-phenol；4-(3-Methylbut-3-en-1-yl)phenol；4-(3-methylbut-3-enyl)phenol
• CAS: 18272-69-0
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: OMQJXTVUZAGETC-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110 °C
• 沸点：
  260.1±9.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  氟里昂-22 、 4-(3-methyl-3-butenyl)phenol 在 硼烷-三甲胺络合物 、 2,4,5,6-四(9H-咔唑-9-基)异酞腈 、 二苯二硫醚 作用下， 反应 48.0h， 以90%的产率得到4-(5,5-difluoro-3-methylpentyl)phenol
  参考文献：
  名称：

  Difluoromethylation of Unactivated Alkenes Using Freon-22 through Tertiary Amine-Borane-Triggered Halogen Atom Transfer

  摘要：

  DOI：

  10.1021/jacs.2c05356
• 作为产物：
  描述：

  4-(3-hydroxy-3-methylbutyl)phenol 生成 4-(3-methyl-3-butenyl)phenol
  参考文献：
  名称：

  Unsaturated Phenols. V. The Reaction of Isoprene with Phenol¹

  摘要：

  DOI：

  10.1021/ja01545a043

文献信息

• Phenol derivatives as antimicrobial agents
  申请人：Symrise AG

  公开号：EP2606725A1

  公开（公告）日：2013-06-26

  The invention relates to the use of (i) a compound of formula (I) or a (pharmaceutically) acceptable salt thereof or (ii) a mixture comprising one or more or consisting of two or more compounds of formula (I) and/or said salts wherein R1 denotes a radical in ortho-, meta, or para-position to the phenolic OH group, the radical being selected from the group consisting of E/Z-3-methylbut-l-en-1-yl, 3-methylbut-2-en-1-yl and 3-methylbut-3-en-1-yl and R2 denotes a radical in ortho-, meta, or para-position to the phenolic OH group, the radical being selected from the group consisting of H and alkyl groups with 1 to 3 C atoms as antimicrobial agent for inactivation of microorganisms, in particular for rapid inactivation of microorganisms, with the proviso that the use is not within a method for treatment of the human or animal body by surgery or therapy or within a diagnostic method practised on the human or animal body.

  本发明涉及以下物质的用途：(i) 式 (I) 化合物或其 (药学上) 可接受的盐，或 (ii) 由一种或多种或由两种或多种式 (I) 化合物和/或所述盐组成的混合物 其中 R1 表示与酚羟基处于正位、偏位或对位的基团，该基团选自由 E/Z-3-甲基丁-l-烯-1-基、3-甲基丁-2-烯-1-基和 3-甲基丁-3-烯-1-基组成的组，R2 表示与酚羟基处于正位、偏位或对位的基团，该基团选自由 E/Z-3-甲基丁-l-烯-1-基、3-甲基丁-2-烯-1-基和 3-甲基丁-3-烯-1-基组成的组、这些基团选自 H 和具有 1 至 3 个 C 原子的烷基组成的基团组，用作灭活微生物的抗菌剂，特别是用于快速灭活微生物，但该用途不得用于通过手术或治疗对人体或动物体进行治疗的方法中，也不得用于对人体或动物体进行诊断的方法中。
• Preparation and reactions of dianions from cresols
  作者：Robert B. Bates、Teruna J. Siahaan

  DOI：10.1021/jo00359a010

  日期：1986.5
• BATES, R. B.;SIAHAAN, TERUNA, J., J. ORG. CHEM., 1986, 51, N 9, 1432-1434
  作者：BATES, R. B.、SIAHAAN, TERUNA, J.

  DOI：——

  日期：——
• Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor
  申请人：Ahn Jung-Mo

  公开号：US20100317570A1

  公开（公告）日：2010-12-16

  The present invention includes peptidomimetic compound compositions and methods of making and using peptidomimetic compounds to modulate the activity of a peptide receptor for the treatment of one or more of hyperglycemia, insulin resistance, hyperinsulinemia, obesity, hyperlipidemia, hyperlipoproteinemia or other symptoms that relate to the function of the targeted receptor. The peptidomimetic includes an oligo-benzamide compound having at least three optionally substituted benzamides.
• PHENOL DERIVATIVES AS ANTIMICROBIAL AGENTS
  申请人：Symrise AG

  公开号：US20130156708A1

  公开（公告）日：2013-06-20

  The invention relates to the use of (i) a compound of formula (I) or a (pharmaceutically) acceptable salt thereof or (ii) a mixture comprising one or more or consisting of two or more compounds of formula (I) and/or said salts wherein R 1 denotes a radical in ortho-, meta, or para-position to the phenolic OH group, the radical being selected from the group consisting of E/Z-3-methylbut-1-en-1-yl, 3-methylbut-2-en-1-yl and 3-methylbut-3-en-1-yl and R 2 denotes a radical in ortho-, meta, or para-position to the phenolic OH group, the radical being selected from the group consisting of H and alkyl groups with 1 to 3 C atoms as antimicrobial agent for inactivation of microorganisms, in particular for rapid inactivation of microorganisms, with the proviso that the use is not within a method for treatment of the human or animal body by surgery or therapy or within a diagnostic method practised on the human or animal body.