1-(4-methoxymethoxyphenyl)-2-propyn-1-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-methoxymethoxyphenyl)-2-propyn-1-ol
• 英文别名: 4-(methoxymethoxy)phenylprop-2-yn-1-ol；1-[4-(Methoxymethoxy)phenyl]prop-2-yn-1-ol
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: YWGZCDNVAVWIAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-methoxymethoxyphenyl)-2-propyn-1-ol 在 4-二甲氨基吡啶 、 tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 2,6-双((S)-4-((S)-仲丁基)-4,5-二氢噁唑-2-基)吡啶 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 33.0h， 生成 (R)-triethyl 2-(4-(methoxymethoxy)phenyl)but-3-yne-1,1,1-tricarboxylate
  参考文献：
  名称：

  Trialkyl Methanetricarboxylate as Dialkyl Malonate Surrogate in Copper-Catalyzed Enantioselective Propargylic Substitution

  摘要：

  The first copper-catalyzed enantioselective propargylation of trialkyl methantricarboxylate with propargylic alcohol derivatives was developed. The tricarboxylate unit in the obtained adducts could be easily transformed into a malonate moiety by treating with in situ generated NaOEt in excellent yield without racemization.

  DOI：

  10.1021/acs.orglett.5b02463
• 作为产物：
  描述：

  4-methoxymethoxy-benzaldehyde 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 2.92h， 生成 1-(4-methoxymethoxyphenyl)-2-propyn-1-ol
  参考文献：
  名称：

  Trialkyl Methanetricarboxylate as Dialkyl Malonate Surrogate in Copper-Catalyzed Enantioselective Propargylic Substitution

  摘要：

  The first copper-catalyzed enantioselective propargylation of trialkyl methantricarboxylate with propargylic alcohol derivatives was developed. The tricarboxylate unit in the obtained adducts could be easily transformed into a malonate moiety by treating with in situ generated NaOEt in excellent yield without racemization.

  DOI：

  10.1021/acs.orglett.5b02463

文献信息

• Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases
  申请人：Cohen Isaac

  公开号：US20090312274A1

  公开（公告）日：2009-12-17

  Estrogenic compositions comprising nyasol and analogs thereof are provided. Also provided are methods of using said extracts to achieve an estrogenic effect, especially in a human, e.g. a female human. In some embodiments, the methods include treatment of climacteric symptoms. In some embodiments, the methods include treatment of estrogen receptor positive cancer, such as estrogen responsive breast cancer. In some embodiments, the methods include treatment or prevention of osteoporosis.

  提供了包含尼阿索尔及其类似物的雌激素组合物。还提供了使用这些提取物以实现雌激素效应的方法，特别是在人类中，例如女性。在某些实施例中，这些方法包括治疗更年期症状。在某些实施例中，这些方法包括治疗雌激素受体阳性癌症，如对雌激素敏感的乳腺癌。在某些实施例中，这些方法包括治疗或预防骨质疏松症。
• Nematicidal pyrazoles
  申请人：——

  公开号：US20030028034A1

  公开（公告）日：2003-02-06

  Novel pyrazoles of formula (I) wherein R 1 represents halogen, C 1-6 alkyl, C 1-5 haloalkyl, C 2-6 alkoxy, C 1-4 alkylthio, C 2-5 alkenyloxy, C 3-5 alkynyloxy, C 2-6 (total carbon number) alkoxyalkyl, C 2-6 (total carbon number) alkylthioalkyl, C 1-5 haloalkoxy, C 2-6 (total carbon number) alkoxyalkoxy, hydroxy or optionally substituted phenyl, R 2 represents hydrogen, halogen, C 1-5 alkyl, C 2-6 (total carbon number) alkoxyalkyl, C 2-6 (total carbon number) alkylthioalkyl, C 2-6 (total carbon number) alkylsulfinylalkyl, C 2-6 (total carbon number) alkylsulfonylalkyl or C 1-5 haloalkyl, R 3 represents hydrogen, C 1-5 alkyl, —COR 4 , COOR 5 , CH(OR 6 ) 2 or CH 2 (Si(R 7 ) 3 , R 4 represents C 1-10 alkyl, C 1-6 haloalkyl, C 2-6 alkenyl, optionally substituted C 3-6 cycloalkyl, C 2-6 (total carbon number) alkoxyalkyl, C 2-6 (total carbon number) alkylthioalkyl, optionally substituted phenyl, C 1-6 haloalkyl, alkylamino, di-(C 1-6 alkyl)amino or optionally substituted phenylamino, R 5 represents C 1-7 alkyl, R 6 and R 7 represent C 1-6 alkyl, and n is 1, 2 or 3, and when n is 2 or 3, the corresponding number (n) of R 1 radicals may be the same or different, processes for preparing these compounds and their use as nematicides and anthelmintics.

  式（I）的新型吡唑类化合物，其中R1代表卤素、C1-6烷基、C1-5卤代烷基、C2-6烷氧基、C1-4烷基硫醚、C2-5烯基氧基、C3-5炔基氧基、C2-6（总碳数）烷氧基烷基、C2-6（总碳数）烷基硫醚烷基、C1-5卤代烷氧基、C2-6（总碳数）烷氧基烷氧基、羟基或可选取代的苯基；R2代表氢、卤素、C1-5烷基、C2-6（总碳数）烷氧基烷基、C2-6（总碳数）烷基硫醚烷基、C2-6（总碳数）烷基亚磺酰基烷基、C2-6（总碳数）烷基磺酰基烷基或C1-5卤代烷基；R3代表氢、C1-5烷基、—COR4、COOR5、CH（OR6）2或CH2（Si（R7）3、R4代表C1-10烷基、C1-6卤代烷基、C2-6烯基、可选取代的C3-6环烷基、C2-6（总碳数）烷氧基烷基、C2-6（总碳数）烷基硫醚烷基、可选取代的苯基、C1-6卤代烷基、烷基氨基、二（C1-6烷基）氨基或可选取代的苯基氨基；R5代表C1-7烷基；R6和R7代表C1-6烷基；n为1、2或3，当n为2或3时，相应数量（n）的R1基团可以相同或不同，制备这些化合物的方法以及它们作为杀线虫剂和驱虫剂的用途。
• NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES
  申请人：Cohen Isaac

  公开号：US20120277169A1

  公开（公告）日：2012-11-01

  Estrogenic compositions comprising nyasol and analogs thereof are provided. Also provided are methods of using said extracts to achieve an estrogenic effect, especially in a human, e.g. a female human. In some embodiments, the methods include treatment of climacteric symptoms. In some embodiments, the methods include treatment of estrogen receptor positive cancer, such as estrogen responsive breast cancer. In some embodiments, the methods include treatment or prevention of osteoporosis.

  提供了包含nyasol及其类似物的雌激素组合物。还提供了使用该提取物以达到雌激素效应的方法，特别是在人类中，例如女性。在某些实施例中，该方法包括治疗更年期症状。在某些实施例中，该方法包括治疗雌激素受体阳性癌症，例如雌激素敏感性乳腺癌。在某些实施例中，该方法包括治疗或预防骨质疏松症。
• NEMATICIDAL PYRAZOLES
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP1104418A2

  公开（公告）日：2001-06-06
• US6310049B1
  申请人：——

  公开号：US6310049B1

  公开（公告）日：2001-10-30