5-异丙基-2,4-二甲基苯酚 | 91967-93-0

• 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
• 中文名称: 5-异丙基-2,4-二甲基苯酚
• 英文名称: methyl carvacrol
• 英文别名: isothymol methylether；2,4-Dimethyl-5-isopropyl-phenol；5-Isopropyl-2,4-dimethyl-phenol；6-Hydroxy-1.3-dimethyl-4-isopropyl-benzol；NoName_120；2,4-dimethyl-5-propan-2-ylphenol
• CAS: 91967-93-0
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: ZNPTYDKWMGSQRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  5-异丙基-2,4-二甲基苯酚 、 氯乙酸 在 sodium hydroxide 作用下， 生成 (5-isopropyl-2,4-dimethyl-phenoxy)-acetic acid
  参考文献：
  名称：

  A Study of Orientation of Nuclear Methylation in Phenols and Naphthols

  摘要：

  DOI：

  10.1021/ja01878a026
• 作为产物：
  描述：

  2-isopropyl-4-methoxy-5-methylbenzaldehyde 在 氢氧化钾 、 吡啶盐酸盐 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 反应 2.0h， 生成 5-异丙基-2,4-二甲基苯酚
  参考文献：
  名称：

  Demerseman,P. et al., Bulletin de la Societe Chimique de France, 1962, p. 1700 - 1705

  摘要：

  DOI：

文献信息

• Positive resist composition, resist pattern forming process, and photomask blank
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US10416558B2

  公开（公告）日：2019-09-17

  A positive resist composition comprising a polymer adapted to be decomposed under the action of acid to increase its solubility in alkaline developer and a sulfonium compound of specific structure has a high resolution. When the resist composition is processed by lithography, a pattern with minimal LER can be formed.

  一种正性抗蚀组合物包括一种聚合物，适应在酸的作用下分解以增加其在碱性显影剂中的溶解性，以及一种具有特定结构的砜化合物，具有高分辨率。当这种抗蚀组合物经过光刻处理时，可以形成具有最小LER的图案。
• Pest control compositions and methods for their use
  申请人：Dolan C. Marc

  公开号：US20050187289A1

  公开（公告）日：2005-08-25

  Compositions and methods for controlling an arthropod pest population that include an eremophilane sesquiterpene pest control agent (such as, nootkatone or 13-hydroxy-valencene) and a dialkyl-substituted phenol pest control agent (such as, carvacrol) are disclosed. The compounds present in the compositions may be isolated from natural sources, semi-synthesized from naturally occurring compounds, or completely synthesized. The pest control compositions may be applied directly to a pest or the locus of a pest, and function as topical or ingestible pest toxins.

  本发明涉及一种控制节肢动物害虫种群的组合物和方法，其中包括一种艾利莫芬类倍半萜害虫控制剂（例如，诺特卡酮或13-羟基-瓦伦烯）和一种二烷基取代酚害虫控制剂（例如，香芹酚）。组合物中的化合物可以从天然来源中分离出来，从天然存在的化合物半合成出来，或者完全合成。害虫控制组合物可以直接应用于害虫或害虫的生境，并作为局部或可摄入的害虫毒素。
• Compounds for pest control and methods for their use
  申请人：——

  公开号：US20040077713A1

  公开（公告）日：2004-04-22

  Compounds, compositions, and methods for controlling an arthropod pest population that employ an eremophilane sesquiterpene parent structure are presented. The compounds have minimal adverse or toxic effects on humans, non-human animals, and the natural environment. The compounds may be isolated from natural sources, semi-synthesized from naturally occurring compounds, or completely synthesized. The compounds may be applied directly to a pest, or the locus of a pest, and function as topical or ingestible toxins. Eremophilane sesquiterpenes 13-hydroxy-valencene, valencene-11,12-epoxide, valencene-13-aldehyde, and nootkatone-1,10-11,12-diepoxide are exemplary compounds.

  本文介绍了使用一种eremophilane sesquiterpene母结构来控制节肢动物害虫种群的化合物、组合物和方法。这些化合物对人类、非人类动物和自然环境的不良或毒性影响最小。这些化合物可以从天然来源中分离出来，也可以从天然存在的化合物半合成或完全合成。这些化合物可以直接应用于害虫或害虫的部位，并作为局部或可摄入的毒素起作用。Eremophilane sesquiterpenes 13-hydroxy-valencene，valencene-11,12-epoxide，valencene-13-aldehyde和nootkatone-1,10-11,12-diepoxide是一些示范性化合物。
• METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3144300A1

  公开（公告）日：2017-03-22

  A method of producing a compound of formula (I) or a pharmacologically acceptable salt thereof, useful as a therapeutic agent and/or a preventive agent for pain or for a sodium channel associated disease: Ar1 and Ar2: a heteroaryl group or an aryl group, each optionally substituted; R1, R2 and R3: a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halogenated C1-C6 alkyl group, a hydroxy C1-C6 alkyl group, a C1-C6 alkoxy C1-C6 alkyl group or a C3-C7 cycloalkyl group or a cyano group; R4 and R5: a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halogenated C1-C6 alkyl group, a hydroxyl group, a hydroxy C1-C6 alkyl group, a C1-C6 alkoxy C1-C6 alkyl group, a C3-C7 cycloalkyl group or a C1-C6 alkoxy group; and n: an integer of 1 to 3, comprising a step of removing a protecting group P from the compound of formula (VI): or a step of reacting a compound of formula (X) and a compound of formula (XI) : wherein X represents a halogen atom.

  一种生产式（I）化合物或其药理学上可接受的盐的方法，可用作疼痛或钠离子通道相关疾病的治疗剂和/或预防剂： Ar1 和 Ar2：杂芳基或芳基，各自任选被取代； R1、R2 和 R3：氢原子、卤素原子、C1-C6 烷基、卤代 C1-C6 烷基、羟基 C1-C6 烷基、C1-C6 烷氧基 C1-C6 烷基或 C3-C7 环烷基或氰基； R4 和 R5：氢原子、卤素原子、C1-C6 烷基、卤代 C1-C6 烷基、羟基、羟基 C1-C6 烷基、C1-C6 烷氧基 C1-C6 烷基、C3-C7 环烷基或 C1-C6 烷氧基；以及 n：1 至 3 的整数，包括从式（VI）化合物中去除保护基 P 的步骤： 或式（X）化合物与式（XI）化合物反应的步骤： 其中 X 代表卤原子。
• Process for THR preparation of natural crystallized thymol from Monarda citriodora (Jammu Monarda) oil
  申请人：Council of Scientific and Industrial Research

  公开号：US10941096B2

  公开（公告）日：2021-03-09

  The present invention provides an efficient process for the isolation of natural crystallized thymol product derived from crude natural Monarda citriodora (Jammu Monarda) oil useful for incorporation into foods and beverages in amounts due to strong antimicrobial, antibacterial, antioxidant properties as well as for use as a preservative. The recovery of crystallized thymol product obtained is more than 72% from Hexane-Jammu Monarda oil in a ratio 1:1 under specific conditions. A method for preparing natural thymol in crystal form involves providing crude Jammu Monarda oil in a Flask and gradually reducing the temperature of the flask containing Monarda oil:Hexane in a step-wise manner, thereby producing highly pure crystals (≥95.5%) within 48 h. The methods disclosed herein are suitable for pharmaceutical GMP.

  本发明提供了一种从粗制天然 Monarda citriodora（Jammu Monarda）油中分离天然结晶百里酚产品的有效工艺，该产品具有很强的抗菌、抑菌和抗氧化特性，可作为防腐剂加入食品和饮料中。在特定条件下，从比例为 1:1 的己烷-查谟-莫纳尔油中获得的百里酚结晶产品的回收率超过 72%。制备晶体状天然百里酚的方法包括在烧瓶中提供粗查谟莫那达油，并逐步降低装有莫那达油：正己烷的烧瓶的温度，从而在 48 小时内生产出高纯度晶体（≥95.5%）。