4-isobutyl-2-methylcyclohexan-1-ol | 248597-06-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-isobutyl-2-methylcyclohexan-1-ol
• 英文别名: 4-(2-methylpropyl)-2-methylcyclohexanol；2-methyl-4-isobutylcyclohexan-1-ol；2-Methyl-4-(2-methylpropyl)cyclohexan-1-ol
• CAS: 248597-06-0
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: UDPKUAIUDYPHMS-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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  4-isobutyl-2-methylcyclohexan-1-ol 在 silica gel 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 生成 4-isobutyl-2-methylcyclohexan-1-one 、 4-isobutyl-2-methylcyclohexan-1-one
  参考文献：
  名称：

  [EN] CYCLOHEXENE DERIVATIVES AS PERFUMING INGREDIENTS
  [FR] DÉRIVÉS DE CYCLOHEXÈNE UTILISÉS EN TANT QU'INGRÉDIENTS PARFUMANTS

  摘要：

  本发明涉及一种式（I）的化合物，其为其立体异构体之一或其混合物的形式，其中n为0或1；R和R'分别表示氢原子或C1-2直链烷基基团，前提是其中一个基团表示氢原子，另一个表示C1-2直链烷基基团；每个R1独立地表示氢原子或甲基基团；R2和R3独立地表示C1-3直链烷基基团；或者R2和R3在一起时表示C4-5直链、支链烷二基或烯二基。本发明还涉及将式（I）的化合物用作花香型香料成分，以及将本发明的化合物作为香料组合物或香料消费者产品的一部分。

  公开号：

  WO2018167200A1

文献信息

• NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES
  申请人：Merck Patent GmbH

  公开号：US20160168090A1

  公开（公告）日：2016-06-16

  The present invention relates to indole compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及吲哚化合物及其药用可接受的组合物，用作P2X7拮抗剂，用于治疗与P2X7相关的疾病。
• Production of 3-alkylcycloalkanols
  申请人：——

  公开号：US20040030193A1

  公开（公告）日：2004-02-12

  A method of making a 3-alkylcycloalkanol of formula 2: where R 1 represents a methyl or ethyl group, R 2 represents hydrogen, R 3 represents an ethyl, propyl, butyl, isobutyl or isoamyl group, R 4 represents hydrogen and R 5 represents hydrogen, or a methyl, ethyl, propyl, isobutyl or isoamyl group comprises the following steps: (1) carrying out an electrophilic substitution reaction of an alkyl group or precursor thereof, on an ortho-substituted alkylbenzene compound of formula 3: where R 6 represents hydrogen, or a methyl or ethyl group; (2) hydrogenating the reaction product of step (1); (3) performing an elimination reaction on one or more reaction products of step (2) to produce one or more alkene products; and (4) hydrating the one or more alkene products of step (3) to provide a 3-alkylcycloalkanol of formula 2. The electrophilic substitution reaction of step (1) may be a Friedel-Crafts acylation, e.g. using an isopropyl ketone precursor, or a Friedel-Crafts alkylation, e.g. using an isobutyl group. The 3-alkylcycloalkanols, especially 3-(2-methylpropyl)-1-methylcyclohexanol, are useful fragrance materials and find use in perfumes and perfumed products.

  一种制备式为2的3-烷基环烷醇的方法：其中R1代表甲基或乙基基团，R2代表氢，R3代表乙基、丙基、丁基、异丁基或异戊基基团，R4代表氢，R5代表氢或甲基、乙基、丙基、异丁基或异戊基基团，包括以下步骤：(1)在式为3的邻位取代烷基苯化合物上进行烷基或其前体的亲电取代反应，其中R6代表氢、甲基或乙基基团；(2)对步骤(1)的反应产物进行氢化；(3)对步骤(2)的一个或多个反应产物进行消除反应，得到一个或多个烯烃产物；(4)对步骤(3)的一个或多个烯烃产物进行水合反应，以提供式为2的3-烷基环烷醇。步骤(1)的亲电取代反应可以是Friedel-Crafts酰化反应，例如使用异丙基酮前体，或Friedel-Crafts烷基化反应，例如使用异丁基基团。3-烷基环烷醇，特别是3-(2-甲基丙基)-1-甲基环己醇，是有用的香料材料，可用于香水和带香产品中。
• Novel fragrance compounds
  申请人：——

  公开号：US20030176313A1

  公开（公告）日：2003-09-18

  The novel isomeric alkenes having structure (I) or (II) or (III) exhibit interesting odour characteristics, generally floral in nature, and so find use in perfumes and in perfumed products. The alkenes are also useful as intermediates in the preparation of other compounds, particularly other fragrance compounds, such as 3-(2-methylpropyl)-1-methylcyclohexanol.

  结构为（I）或（II）或（III）的新异构烯烃具有有趣的气味特性，通常呈花香气味，因此在香水和带香产品中得到应用。这些烯烃也可用作其他化合物的中间体，特别是其他香料化合物的制备中间体，例如3-（2-甲基丙基）-1-甲基环己醇。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS
  申请人：Meyer Imke

  公开号：US20130137710A1

  公开（公告）日：2013-05-30

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as anti-cellulite actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising such compounds of formula (I), which are preferably suitable for the prophylaxis (prevention) and cosmetic treatment (combating) of cellulite in human beings, corresponding methods and novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子（I）所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤科或治疗用途，优选作为抗脂肪纹活性剂。本发明还涉及包含该式（I）化合物的组合物和化妆品、皮肤科或治疗产品，这些化合物优选用于人类的脂肪纹预防和美容治疗，以及相应的方法和新型式（I）化合物。其中，A表示......，X、Y和Z分别独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团彼此共价结合形成二环环系统，在这样的二环环系统中，X、Y和Z中的两个基团一起优选形成具有1至4个碳原子的基团，优选为具有1至3个碳原子的碳氢基团，B表示NR1R2，其中R1表示氢或具有1至14个碳原子的有机基团，R2表示具有1至14个碳原子的有机基团，可选地，R1和R2彼此共价结合，优选使得B为3至8个成员的环。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES
  申请人：Vielhaber Gabriele

  公开号：US20130156710A1

  公开（公告）日：2013-06-20

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as skin and/or hair lightening (whitening) actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising one or more compounds of formula (I) suitable for lightening human skin and/or hair and corresponding methods. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition for lightening human skin and/or hair and to novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 , R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子(I)所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤学或治疗用途，优选作为皮肤和/或头发美白活性剂。本发明还涉及含有一个或多个式(I)化合物的组合物和化妆品、皮肤学或治疗产品，适用于美白人类皮肤和/或头发以及相应的方法。本发明还涉及式(I)化合物作为药物，其用于制备用于美白人类皮肤和/或头发的制药组合物，以及式(I)的新化合物，其中A表示其中X、Y和Z彼此独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团在形成二环环系的情况下共价键结在一起，这样，在这样的二环环系中，X、Y和Z中的两个基团首选形成具有1到4个碳原子的基团，优选为具有1到3个碳原子的碳氢基团；B表示NR1、R2，其中R1表示氢或具有1到14个碳原子的有机基团，R2表示具有1到14个碳原子的有机基团，可选地，R1和R2彼此共价键结，优选使得B为3到8个成员的环。