2,2,4-trimethyl-1,5-pentanediol | 3465-14-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4-trimethyl-1,5-pentanediol
• 英文别名: 2,2,4-Trimethyl-1,5-pentan-diol；2,2,4-Trimethylpentane-1,5-diol
• CAS: 3465-14-3
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: LHOBKFFUEUQRQX-UHFFFAOYSA-N

物化性质

• 熔点：
  51.5-53.5 °C
• 沸点：
  93-97 °C(Press: 1.2 Torr)
• 密度：
  0.937±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,4-trimethyl-1,5-pentanediol 在 Amberlyst 15 作用下， 以83%的产率得到3,3,5-trimethyltetrahydropyran
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205
• 作为产物：
  描述：

  2,4,4-三甲基-2-戊烯 生成 2,2,4-trimethyl-1,5-pentanediol
  参考文献：
  名称：

  Organoboranes. V. The Thermal Cyclization of Dialkylboranes. A Convenient Synthesis of 2,4,4-Trimethyl-1,5-pentanediol and Related 1,5-Diols¹

  摘要：

  DOI：

  10.1021/ja00959a022

文献信息

• [EN] SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS<br/>[FR] COMPOSÉS PHOTOCHROMIQUES SILOLE ET GERMOLE À CYCLE FUSIONNÉ
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2019001724A1

  公开（公告）日：2019-01-03

  The present invention relates to silole and germole fused ring photochromic compounds represented, with some embodiments, by the following Formula (Ia), (Ia) With reference to Formula (Ia): M includes Si or Ge; Ring A and Ring B each independently include aryl or heteroaryl; and the photochromic compound is a thermally reversible photochromic compound. The present invention also relates to photochromic compositions and photochromic articles, such as photochromic ophthalmic articles that include one or more photochromic compounds represented, with some embodiments, by Formula (Ia).

  本发明涉及硅杂环和锗杂环融合环光致变色化合物，其中一些实施例由以下式（Ia）表示，（Ia）参照式（Ia）：M包括Si或Ge；环A和环B各自独立地包括芳基或杂芳基；光致变色化合物是热可逆光致变色化合物。本发明还涉及光致变色组合物和光致变色物品，例如包括由式（Ia）表示的一个或多个光致变色化合物的光致变色眼科物品。
• [EN] PHOTOCHROMIC THIENOCHROMENE COMPOUNDS<br/>[FR] COMPOSÉS THIÉNOCHROMÈNE PHOTOCHROMIQUES
  申请人：TRANSITIONS OPTICAL INC

  公开号：WO2016144324A1

  公开（公告）日：2016-09-15

  The present invention relates to photochromic compounds, such as thienochromene compounds represented by the following Formulas (la) and/or (lb). The present invention also relates to photochromic compositions and articles containing one or more such photochromic thienochromene compounds.

  本发明涉及光致变色化合物，例如由以下式（Ia）和/或（Ib）表示的噻吩基色烯化合物。本发明还涉及含有一种或多种此类光致变色噻吩基色烯化合物的光致变色组合物和制品。
• [EN] USE OF 4-CYANO-NAPHTHALENE-1, 8-DICARBOXIMIDE DERIVATIVES AND RELATED COMPOUNDS TO PROTECT ORGANIC MATERIAL FROM THE DAMAGING EFFECTS OF LIGHT<br/>[FR] UTILISATION DE DERIVES 4-CYANO-NAPHTHALENE-1, 8-DICARBOXIMIDE ET COMPOSES ASSOCIES POUR LA PROTECTION DE MATIERE ORGANIQUE CONTRE LES EFFETS NUISIBLES DE LA LUMIERE
  申请人：BASF AG

  公开号：WO2005047265A1

  公开（公告）日：2005-05-26

  A description is given of the use of naphthalene-1,8-dicarboxylic monoimides of the formula (I), in which R1 is hydrogen, alkyl, alkenyl, cycloalkyl, cycloalkenyl, heterocycloalkyl, aryl or heteroaryl and R2 is a radical containing at least one π electron system containing a carbon atom and at least one further atom selected from carbon, oxygen, and nitrogen, with the proviso that the radical contains at least one atom other than carbon; to protect organic material from the damaging effects of light, of compositions which comprise at least one naphthalene-1,8-dicarboxylic monoimide of the formula (I) in an amount which provides protection from the damaging effects of light, and at least one organic material, and of new naphthalene-1,8-dicarboxylic monoimides (I).

  描述了使用式(I)的萘-1,8-二羧酸单亚胺，其中R1是氢、烷基、烯基、环烷基、环烯基、杂环烷基、芳基或杂芳基，R2是一个含有至少一个π电子体系的基团，其中包含一个碳原子和至少一个来自碳、氧和氮的其他原子，但基团至少包含一个碳以外的原子；用于保护有机材料免受光的破坏作用的组合物的描述，该组合物包括至少一种式(I)的萘-1,8-二羧酸单亚胺，其含量提供了对光的破坏作用的保护，以及至少一种有机材料，以及新的萘-1,8-二羧酸单亚胺(I)。
• SILANE-MODIFIED FORMAMIDES
  申请人：Covestro Deutschland AG

  公开号：US20160340372A1

  公开（公告）日：2016-11-24

  The invention relates to novel silane-modified formamide-polymers and/or pre-polymers for bonding and/or sealing diverse substrate materials, such as, for example metal, wood, glass and/or plastic. The invention also relates to a reactive single-component adhesive system comprising the claimed silane-modified formamide polymers.

  该发明涉及用于粘接和/或密封不同基材的新型硅烷改性甲酰胺聚合物和/或前聚物，例如金属、木材、玻璃和/或塑料。该发明还涉及一种包括所述硅烷改性甲酰胺聚合物的反应性单组分粘合系统。
• [EN] PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS<br/>[FR] COMPOSÉS DE PHÉNANTHRÉOPYRANE INDÉNO-FUSIONNÉS PHOTOCHROMIQUES
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2018206096A1

  公开（公告）日：2018-11-15

  The present invention relates to photochromic indeno fused phenanthrenopyran compounds represented by the following Formula (I). With some embodiments, the photochromic compounds represented by Formula (I) include at least one lengthening group (e.g., R6 and/or R7 each independently being a lengthening group) and the compounds of the present invention are photochromicdichroic compounds. The present invention also relates to photochromic compositions and photochromic articles, such as photochromic ophthalmic articles that include one or more photochromic compounds represented by Formula (I).

  本发明涉及由以下式（I）表示的光致变色的吲哚螺芴并联苯并吡喃化合物。在某些实施例中，由式（I）表示的光致变色化合物包括至少一个延长基团（例如，R6和/或R7分别独立地是一个延长基团），本发明的化合物是光致变色二向性化合物。本发明还涉及光致变色组合物和光致变色物品，例如包括由式（I）表示的一个或多个光致变色化合物的光致变色眼科物品。