4-(甲氧基甲基)环己烷甲醇 | 98955-27-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(甲氧基甲基)环己烷甲醇
• 英文名称: [4-(methoxymethyl)cyclohexyl]methanol
• 英文别名: 1-hydroxymethyl-4-methoxymethyl-cyclohexane；(4-(Methoxymethyl)cyclohexyl)methanol
• CAS: 98955-27-2
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: KSIFEWSPJQDERU-UHFFFAOYSA-N

物化性质

• 沸点：
  239.3±8.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)
• 溶解度：
  乙腈（微溶）、氯仿（微溶）、乙酸乙酯（微溶）
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909499000
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335
• 储存条件：
  | 2-8°C |

反应信息

• 作为反应物：
  描述：

  sodium sulfate 、 4-(甲氧基甲基)环己烷甲醇 在 三溴化磷 作用下， 生成 (4-methoxymethyl-cyclohexyl)methyl bromide
  参考文献：
  名称：

  Pyridazinones endowed with acaricide and insecticide action

  摘要：

  描述了具有杀螨和杀虫作用的新吡啶并酮，其通式为(I)：##STR1## 其中X为卤素或烷基，Z为烷基，R为取代环己基或环己烯基。

  公开号：

  US05286725A1
• 作为产物：
  描述：

  1,4-环己烷二甲醇 在 CH₃I 、 NaH 、 ammonium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(甲氧基甲基)环己烷甲醇
  参考文献：
  名称：

  2-tButyl-4-chloro-5-(4-ibutylmethylcyclohexyl)-methylthio-3(H)-pyridazinone having acaricidal and insecticidal activity

  摘要：

  公开号：

  EP0476573B1

文献信息

• [EN] PIPERIDINE-DIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PIPÉRIDINE-DIONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015140133A1

  公开（公告）日：2015-09-24

  The invention provides novel compounds having the general formula (I) and tautomers and pharmaceutically acceptable salts thereof, wherein A1, A2, A3, A4, R1, R4, R5, R6, R7 and R8 are as defined herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有通式（I）及其互变异构体和药学上可接受的盐的新化合物，其中A1、A2、A3、A4、R1、R4、R5、R6、R7和R8如本文所定义，包括这些化合物的组合物和使用这些化合物的方法。
• Configurational effects on internal proton transfers and ion-neutral complex formation in stereoisomeric 1,4-di(alkoxymethyl)cyclohexanes on chemical ionization
  作者：C. Denekamp、A. Mandelbaum

  DOI：10.1002/jms.1190301006

  日期：1995.10

  Cis- and trans-1,4-dimethyl-1-d3-methoxymethyl-4-(2-methoxy-2-propyl)cyclohexane (3a-c and 3a-t), the isomeric 1,4-dimethyl-1-methoxymethyl-4-(2-d3-methoxy-2-propyl)cyclohexanes (3b-c and 3b-t) and 1,4-dimethyl-1-methoxymethyl-4-(2-d3-methoxy-2-propyl)cyclohexanes (3b-c and 3b-t) and 1,4-dimethyl-1-ethoxymethyl-4-(2-methoxy-2-propyl)cyclohexanes (3c-c and 3c-t) give rise to different isobutane chemical ionization (CI) mass spectra. The cis isomers exhibit abundant [MHROH]+ ions (100%, ROH originating from the tertiary alkoxy group), while no MH+ or [MHR′OH]+ ions (R′OH originating from the primary alkoxyl) were detected in the mass spectra. This behaviour indicates an efficient proton transfer between the two ether functions in the transient MH+ ions of the cis isomers, resulting in the total and exclusive elimination of methanol from the tertiary position. In contrast to the cis diethers, the trans isomers 3a-t, 3b-t and 3c-t afford relatively abundant [MHROH]+ and [MHR′OH]+ ions. This behaviour is consistent with protonation on each of the two distant non-interacting ether groups, resulting in two isomeric MH+ ions, each of which eliminates the corresponding alcohol. The highly stereospecific behaviour of the cis and trans diethers 3c and 3t is dependent on the presence of the methyl substituents at positions 1 and 4: identical mass spectra were obtained for cis- and trans-1- alkoxymethyl-4-(2-alkoxy-2-propyl)cyclohexanes (4-c and 4-t) (four pairs with different 1- and 4-alkoxy groups), and both stereoisomers exhibit exclusive elimination of ROH originating from the tertiary methoxy group in each pair. The absence of [MHR′OH]+ and MH+ ions in the isobutane CI mass spectra of 4-t requires proton transfer from the primary OR′ to the tertiary OR group prior to the elimination of ROH, despite the large distance between them in the trans configuration. These results indicate isomerization of the fragmenting MH+ ions of 4-t to structures which allow a facile proton transfer from the primary the tertiary alkoxyl. The similarity of the mass spectra of 4-c and 4-t suggests trans → cis isomerization, which may occur via an ion–neutral complex.

  顺式和反式1,4-二甲基-1-d3-甲氧基甲基-4-(2-甲氧基-2-丙基)环己烷（3a-c和3a-t）、异构体1,4-二甲基-1-甲氧基甲基-4-(2-d3-甲氧基-2-丙基)环己烷（3b-c和3b-t）以及1,4-二甲基-1-甲氧基甲基-4-(2-d3-甲氧基-2-丙基)环己烷（3b-c和3b-t）和1,4-二甲基-1-乙氧基甲基-4-(2-甲氧基-2-丙基)环己烷（3c-c和3c-t）在异丁烷化学电离（CI）质谱中产生不同的谱图。顺式异构体表现出丰富的[MHROH]+离子（100%，ROH源自叔烯醇基），而在质谱中未检测到MH+或[MHR′OH]+离子（R′OH源自伯烯醇基）。这种行为表明，在顺式异构体的短暂MH+离子中，两个醚官能团之间发生了有效的质子转移，导致从叔位完全且专属性地消除甲醇。与顺式二醚相反，反式异构体3a-t、3b-t和3c-t产生相对丰度的[MHROH]+和[MHR′OH]+离子。这种行为与在两个远离、相互不干扰的醚基团上发生质子化一致，产生两个异构体MH+离子，每个离子都分别消除了相应的醇。在顺式和反式二醚3c和3t中，高度立体特异性的行为依赖于在1位和4位存在甲基取代基：对于顺式和反式1-醇基甲基-4-(2-醇基-2-丙基)环己烷（4-c和4-t）获得了相同的质谱（四对不同的1-和4-醇基团），而这两种立体异构体都表现出来自每对中叔位甲氧基的ROH的专属性消除。在4-t的异丁烷CI质谱中缺乏[MHR′OH]+和MH+离子，表明在ROH消除之前，尽管在反式构型中它们之间距离较大，仍需从伯醇基OR′转移质子到叔醇基OR。结果表明4-t的碎裂MH+离子发生异构化，形成允许从伯醇基到叔醇基便捷质子转移的结构。4-c和4-t的质谱相似性表明可能发生反式→顺式的异构化，这可能通过离子-中性复合物进行。
• [EN] ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION<br/>[FR] COMPOSITION DE RÉSINE SENSIBLE AUX RAYONS ACTINIQUES OU AU RAYONNEMENT ET PROCÉDÉ DE FORMATION DE MOTIFS AU MOYEN DE LA COMPOSITION
  申请人：FUJIFILM CORP

  公开号：WO2010035905A1

  公开（公告）日：2010-04-01

  An actinic ray-sensitive or radiation-sensitive resin composition comprising any of the compounds of general formula (I) below; wherein: Ar represents an aromatic ring that may have a substituent other than the -(A-B) groups; n is an integer of 1 or greater; A represents any one, or a combination of two or more members selected from a single bond, an alkylene group, -O-, -S-, -C(=O)-, -S(=O)-, -S(=O)?2- and OS(=O)2-, provided that -C(=O)O- is excluded; B represents a group containing a hydrocarbon group having 4 or more carbon atoms wherein either a tertiary or a quaternary carbon atom is contained, when n is 2 or greater, the two or more -(A-B) groups may be identical to or different from each other; and M+ represents an organic onium ion.

  一种光化学射线敏感性或辐射敏感性树脂组合物，包括下面的通式(I)中的任何一种化合物；其中：Ar代表可能具有除了-(A-B)基团之外的取代基的芳香环；n为大于等于1的整数；A代表从单键、烷基基团、-O-、-S-、-C(=O)-、-S(=O)-、-S(=O)2-和OS(=O)2-中选取的任意一个或两个以上成员的组合，但不包括-C(=O)O-；B代表含有4个或更多碳原子的烃基团的基团，当n大于等于2时，两个或更多个-(A-B)基团可以相同或不同；M+代表有机离子。
• ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION
  申请人：TSUCHIMURA Tomotaka

  公开号：US20110171577A1

  公开（公告）日：2011-07-14

  An actinic ray-sensitive or radiation-sensitive resin composition includes any of the compounds of general formula (I) below; wherein: Ar represents an aromatic ring that may have a substituent other than the -(A-B) groups; n is an integer of 1 or greater; A represents any one, or a combination of two or more members selected from a single bond, an alkylene group, —O—, —S—, —C(═O)—, —S(═O)—, —S(═O) 2 — and —OS(═O) 2 —, provided that —C(═O)O— is excluded; B represents a group containing a hydrocarbon group having 4 or more carbon atoms wherein either a tertiary or a quaternary carbon atom is contained, when n is 2 or greater, the two or more -(A-B) groups may be identical to or different from each other; and M + represents an organic onium ion.

  一种感光射线敏感或辐射敏感的树脂组合物包括下列通式（I）中的任何一种化合物；其中：Ar代表可能具有除了-(A-B)基团以外的取代基的芳香环；n是大于等于1的整数；A代表从单键、烷基、—O—、—S—、—C（═O）—、—S（═O）—、—S（═O）2—和—OS（═O）2—中任意选择一个或两个或两个以上成员的组合，但不包括—C（═O）O—；B代表一个含有4个或更多碳原子的烃基团，其中包含一个三级或季级碳原子，当n大于等于2时，两个或两个以上的-(A-B)基团可以相同或不同；M+代表有机阳离子。
• METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACID ESTER
  申请人：OSAKA UNIVERSITY

  公开号：US20220127218A1

  公开（公告）日：2022-04-28

  An object of the present invention is to provide a method for selectively producing a hydroxycarboxylic acid ester, the method including reducing a dicarboxylic acid monoester by means of a heterogeneous reaction. According to a method for producing a hydroxycarboxylic acid ester in an embodiment of the present invention, a hydroxycarboxylic acid ester represented by Formula (2) is produced by reducing a substrate dicarboxylic acid monoester represented by Formula (1) in the presence of a catalyst. The catalyst comprises: metal species including M 1 and M 2 ; and a support supporting the metal species, and wherein M 1 is rhodium, platinum, ruthenium, iridium or palladium; M 2 is tin, vanadium, molybdenum, tungsten or rhenium; and the support is hydroxyapatite, fluorapatite, or hydrotalcite.

  本发明的目的是提供一种选择性生产羟基羧酸酯的方法，该方法包括通过异相反应还原二羧酸单酯。根据本发明实施例中的一种生产羟基羧酸酯的方法，通过在催化剂的存在下还原由公式（1）表示的底物二羧酸单酯，生产由公式（2）表示的羟基羧酸酯。催化剂包括：包括M1和M2的金属物种；以及支持金属物种的载体，其中M1是铑、铂、钌、铱或钯；M2是锡、钒、钼、钨或铼；载体是羟基磷灰石、氟磷灰石或水滑石。