(4-methylcyclohex-3-ene-1,1-diyl)dimethanol | 15827-42-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-methylcyclohex-3-ene-1,1-diyl)dimethanol
• 英文别名: [1-(Hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
• CAS: 15827-42-6
• 化学式: C₉H₁₆O₂
• mdl: MFCD00778279
• 分子量: 156.225
• InChiKey: JTRLVVUONAUOHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 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：

  (4-methylcyclohex-3-ene-1,1-diyl)dimethanol 在 对甲苯磺酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 生成 4-((1S,2S,5S)-5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
  参考文献：
  名称：

  Structure–activity relationships and sub-type selectivity in an oxabicyclic estrogen receptor α/β agonist scaffold

  摘要：

  An oxabicyclic template for estrogen receptor alpha and beta agonists has been identified which can be tuned to provide moderate levels of selectivity for either receptor sub-type. Structure-activity relationships within this phenol-substituted oxabicyclo[3.3.1]nonene series are described. Select compounds from the present series showed activity in vivo after oral dosing in rodent models of uterine proliferation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.077
• 作为产物：
  描述：

  diethyl 4-methylcyclohex-3-ene-1,1-dicarboxylate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以74%的产率得到(4-methylcyclohex-3-ene-1,1-diyl)dimethanol
  参考文献：
  名称：

  雌激素受体蛋白的选择性配体可区分快速信号和基因组信号。

  摘要：

  雌激素在整个女性体内发挥着广泛而多样的作用。除了经典的核雌激素受体（ERα和ERβ）外，G蛋白偶联的雌激素受体GPER是雌激素作用的重要介体。现有的靶向ER的治疗剂可作为GPER激动剂。在这里，我们报告一个名为AB-1的小分子的鉴定，该分子具有与GPER结合的经典ER的高选择性活性，该活性先前未得到确认。AB-1还具有独特的功能活性谱，作为转录活性的激动剂，但却是通过ERα进行快速信号传递的拮抗剂。我们的结果定义了一类小分子，它们可以区分经典ER和GPER，以及经典ER中的信号传导模式。如果发展成ER拮抗剂，这种活性特征，

  DOI：

  10.1016/j.chembiol.2019.10.009

文献信息

• Versatile method for the synthesis of 4-substituted 6-methyl-3-oxabicyclo[3.3.1]non-6-ene-1-methanol derivatives: Prins-type cyclization reaction catalyzed by hafnium triflate
  作者：Masayuki Nakamura、Kenji Niiyama、Takeru Yamakawa

  DOI：10.1016/j.tetlet.2009.08.120

  日期：2009.11

  A versatile method for the synthesis of 4-substituted 6-methyl-3-oxabicyclo[3.3.1]non-6-ene-1-methanol derivatives has been developed using Prins-type cyclization reaction between aldehydes and O-protected/unprotected cyclohex-3-ene-1,1-dimethanol. Under optimized reaction conditions using hafnium triflate, various substrates, including functionalized benzaldehydes and heteroaromatic carbaldehydes

  利用醛与O-保护/未保护的环己基之间的Prins型环化反应，开发了一种通用的合成4-取代的6-甲基-3-氧杂双环[3.3.1]非-6-烯-1-甲醇衍生物的方法-3-烯-1,1-二甲醇。在使用三氟甲磺酸ha的优化反应条件下，各种底物，包括官能化的苯甲醛和杂芳族甲醛，均能以高收率获得环化产物。
• [EN] COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30<br/>[FR] COMPOSÉS POUR LA LIAISON SÉLECTIVE À DES RÉCEPTEURS ALPHA/BÊTA DES ŒSTROGÈNES PAR RAPPORT À GPER/GPR30
  申请人：UNM RAINFOREST INNOVATIONS

  公开号：WO2021041107A1

  公开（公告）日：2021-03-04

  The current invention is in the field of molecular biology/pharmacology and provides novel 3-oxabicyclo [3.3.1] nonene compounds and derivatives that modulate the effects of the classical estrogen receptors alpha and beta (ERalpha and ERbeta) with little to no biological or physiological effects on the G protein-coupled estrogen receptor GPER (also known as GPR30). These compounds may function as agonists and/or antagonists of one or more of the disclosed classical estrogen receptors.

  当前的发明属于分子生物学/药理学领域，提供了一种新颖的3-氧杂双环[3.3.1]壬烯化合物及其衍生物，能够调节经典雌激素受体α和β（ERα和ERβ）的效应，对G蛋白偶联雌激素受体GPER（也称为GPR30）几乎没有生物学或生理效应。这些化合物可能作为所披露的一个或多个经典雌激素受体的激动剂和/或拮抗剂。
• Process for producing high resilience polyurethane foam and alkoxysilicon compositions as stabilisers therefor
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0041216A2

  公开（公告）日：1981-12-09

  A process for manufacturing low density high resilience polyurethane foams utilizing as a foam stabilizer selected low molecular weight alkoxysilicon compositions containing from one to 18 silicon atoms in which the alkoxy-modifying group contains from 5 to 18 carbon atoms; solutions of such alkoxysilicon compositions; and the foams derived from such process.

  一种制造低密度高回弹聚氨酯泡沫塑料的工艺，该工艺利用含有 1 至 18 个硅原子的精选低分子量烷氧基硅组合物作为泡沫塑料稳定剂，其中烷氧基改性基团含有 5 至 18 个碳原子；这种烷氧基硅组合物的溶液；以及由这种工艺产生的泡沫塑料。
• Siloxane copolymer mixtures useful as foam stabilizers in high resilience polyurethane foam
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0043110A1

  公开（公告）日：1982-01-06

  Siloxane copolymer mixtures comprising a minor amount of certain high molecular weight (e.g., 4000 to 30,000) siloxane-oxyalkylene copolymers and a major amount of certain low molecular weight (e.g., 300 to 1100) siloxane-oxyalkylene copolymers or cyanoalkylsiloxanes in specifically defined mixture ratios; a process for producing high resilience polyurethane foam utilizing as a foam stabilizer said siloxane copolymer mixtures; and the foams derived therefrom.

  硅氧烷共聚物混合物，包括少量特定高分子量（如 4000 至 30000）硅氧烷-氧亚 烃共聚物和大量特定低分子量（如 300 至 1100）硅氧烷-氧亚烃共聚物或氰基 烷基硅氧烷，其混合物比例具体确定；利用上述硅氧烷共聚物混合物作为泡 沫稳定剂生产高回弹聚氨酯泡沫塑料的工艺；以及由此产生的泡沫塑料。
• Apparatus for producing a curable polyurethane froth
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0070324A1

  公开（公告）日：1983-01-26

  Described herein is an apparatus for the continuous production of a curable polyurethane froth which apparatus comprises separate sources of a polyol, an isocyanate, a catalyst and an inert gas, means including separate conduits for feeding said polyol, isocyanate and inert gas separately and under pressure at controlled flow rates from said sources to a mixing device containing inlet openings to receive said polyol, isocyanate and inert gas, means for mixing said polyol, isocyanate and inert gas to produce a froth, and an outlet opening for the resulting froth, means for delivering the froth from said mixing device to a second mixing device, a conduit for feeding the catalyst under pressure at a controlled flow rate to the second mixing device, and means for mixing the froth and catalyst, said mixing device containing inlet openings to receive the froth and catalyst and an outlet opening for the resulting catalyzed froth and means for delivering the catalyzed froth from the mixing device onto a substrate.

  本发明描述了一种连续生产可固化聚氨酯泡沫的设备，该设备包括多元醇、异氰酸酯、催化剂和惰性气体的单独来源；包括单独导管的装置，用于将所述多元醇、异氰酸酯和惰性气体分别以受控流速在压力下从所述来源输送至混合装置，该混合装置包含用于接收所述多元醇、异氰酸酯和惰性气体的入口；用于将所述多元醇、异氰酸酯和惰性气体混合以产生泡沫的装置；用于将泡沫从所述混合装置输送至第二混合装置的装置；用于将催化剂以受控流速在压力下输送至第二混合装置的导管；用于将催化剂以受控流速在压力下输送至第二混合装置的装置、将沫子从上述混合装置输送到第二混合装置的装置，将催化剂在压力下以可控流速输送到第二混合装置的导管，以及将沫子和催化剂混合的装置，上述混合装置包含接收沫子和催化剂的入口和产生的催化沫子的出口，以及将催化沫子从混合装置输送到基质上的装置。