2-phenylmethylenecyclopentan-1-one | 31020-99-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-phenylmethylenecyclopentan-1-one
• 英文别名: (Z)-2-benzylidenecyclopentanone；2-Phenylmethylenecyclopentanone；2-benzylidenecyclopentanone；2-benzalcyclopentanone；2-benzylidene-cyclopentanone；2c-Benzyliden-cyclopentan-1-on；(2Z)-2-benzylidenecyclopentan-1-one
• CAS: 31020-99-2
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: ZFJFROHCPHULKY-LUAWRHEFSA-N

物化性质

• 沸点：
  104-106 °C(Press: 0.5 Torr)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-phenylmethylenecyclopentan-1-one 在 sodium tetrahydroborate 、 N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 (Z)-6-Phenyl-6-phenylsulfanyl-hex-5-enal
  参考文献：
  名称：

  A Positive Halogen Mediated Ring-Opening Reaction of 2-(α-Phenylthiobenzyl)cycloalkanol Derivatives

  摘要：

  用 N-氯代琥珀酰亚胺和三乙胺处理后，标题环烷醇（1 和 3）发生新的开环反应，以相当好的收率得到 ω-氧代 α,β-不饱和硫化物 (2)。

  DOI：

  10.1246/bcsj.59.317
• 作为产物：
  描述：

  6-苯基-5-己烯酰氯 生成 2一（E）-亚苄基环戊酮 、 2-phenylmethylenecyclopentan-1-one
  参考文献：
  名称：

  Coveney, Donal J.; Patel, Vinod F.; Pattenden, Gerald, Journal of the Chemical Society. Perkin transactions I, 1990, # 10, p. 2721 - 2729

  摘要：

  DOI：

文献信息

• 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF
  申请人：Zhao Linxiang

  公开号：US20110060054A1

  公开（公告）日：2011-03-10

  The invention relates to 2-methylene-5-substituted-methylenecyclopentanone derivatives of formula I, and the use thereof. The derivatives of formula I as active components are useful for preparing a medicine for the treatment and/or prevention of cancer diseases such as breast cancer, lung cancer, colon cancer, rectal cancer, stomach cancer, prostate cancer, bladder cancer, uterus cancer, pancreatic cancer and ovary cancer. The active compounds of the invention may be used as an anticancer drug alone or used in combination with one or more other antitumor drugs. A combined therapy can be carried out by administrating each therapeutic component concurrently, subsequently or separately.

  本发明涉及2-亚甲基-5-取代-亚甲基环戊酮衍生物，其具有公式I的结构，以及这些衍生物的用途。公式I的衍生物作为活性成分，可用于制备治疗和/或预防诸如乳腺癌、肺癌、结肠癌、直肠癌、胃癌、前列腺癌、膀胱癌、子宫癌、胰腺癌和卵巢癌等癌症疾病的药物。本发明的活性化合物可以单独用作抗癌药物，或与一个或多个其他抗肿瘤药物联合使用。可以通过同时、随后或分别给药每个治疗成分来进行联合治疗。
• HAIR TREATMENT PRODUCTS COMPRISING POLYMERS
  申请人：Schulze zur Wiesche Erik

  公开号：US20090304620A1

  公开（公告）日：2009-12-10

  The invention relates to hair treatment products, comprising at least one copolymer made of 0.1 to 50% (in relation to the total number of monomers in the copolymer) monomers of the formula (I), wherein the unknowns are defined as in claim 1 , and A2) are monomers from the group of acrylic acid, methacrylic acid and the like, and—optionally non-ionic monomers from the group of acrylamide, vinyl alcohol, and the like, wherein the monomers A2 and A3 together represent 50 to 99.9% (in relation to the total number of monomers in the copolymer) of the copolymer, at least one silicon and at least one selected care product, wherein the products result in advantageous effects for skin and hair.

  该发明涉及头发护理产品，包括至少一种由0.1至50%（相对于共聚物中单体总数的比例）的公式（I）的单体制成的共聚物，其中未知数的定义如权利要求1中定义的，以及A2）是来自丙烯酸、甲基丙烯酸等单体组的单体，以及——可选的非离子单体，来自丙烯酰胺、乙烯醇等单体组，其中单体A2和A3共同代表共聚物中50至99.9%（相对于共聚物中单体总数的比例）的单体，至少含有一种硅和至少一种选定的护理产品，其中这些产品对皮肤和头发具有有利效果。
• alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof
  申请人：PHARMAXYN LABORATORIES LTD.

  公开号：US20150259271A1

  公开（公告）日：2015-09-17

  The present invention discloses a α-(3,5-dimethoxybenzylidene)-α′-hydrocarbyl methylene cyclic ketone with the following formula: wherein R is aryl or alkyl, its preparation method is: the cyclic ketone blended with morpholine are subjected to azeotropic dehydration to give enamine, the enamine is condensed with 3,5-dimethoxybenzaldehyde and then condensed with alkyl or aryl formaldehyde under acidic or basic conditions to give the product, the present invention further discloses an antitumor agent comprising α-(3,5-dimethoxybenzylidene)-α′-hydrocarbyl methylene cyclic ketone or medically acceptable salts and pharmaceutically acceptable carriers thereof. Through the above, the present invention provides α-(3,5-dimethoxybenzylidene)-α′-hydrocarbyl methylene cyclic ketone and preparation method thereof, the said compound is a high activity antitumor agent obtained by piecing and modifying the formulas of natural anti-tumor active ingredient resveratrol and curcumin, which has a good inhibitory effect on epidermal growth factor receptor.

  本发明揭示了一种具有以下结构式的 α-(3,5-二甲氧基苄亚基)-α′-烃基亚甲基环酮：其中 R 为芳基或烷基，其制备方法为：将环酮与吗啉混合物经过共沸脱水得到烯胺，将烯胺与3,5-二甲氧基苄醛缩合，然后在酸性或碱性条件下与烷基或芳基甲醛缩合得到产物，本发明还揭示了包含 α-(3,5-二甲氧基苄亚基)-α′-烃基亚甲基环酮或其医学上可接受的盐和药学上可接受的载体的抗肿瘤剂。通过上述方法，本发明提供了α-(3,5-二甲氧基苄亚基)-α′-烃基亚甲基环酮及其制备方法，该化合物是通过拼接和修改天然抗肿瘤活性成分白藜芦醇和姜黄素的结构式而获得的高活性抗肿瘤剂，对表皮生长因子受体具有良好的抑制作用。
• Asymmetric reduction of prochiral cycloalkenones. The influence of exocyclic alkene geometry
  作者：Alison F. Simpson、Corinna D. Bodkin、Craig P. Butts、Mark A. Armitage、Timothy Gallagher

  DOI：10.1039/b004540n

  日期：——

  The asymmetric reduction of a series of prochiral enones of general structure 1 using the Corey oxazaborolidine 2, leading to enantiomerically enriched allylic cycloalkanols 3 is described. The influence of alkene geometry on both the sense (Rvs. S) and efficiency (% ee) of the asymmetric reduction process has been probed for two systems, (E)- and (Z)-4 and (E)- and (Z)-7, based on cyclohexanone and cyclopentanone respectively. The absolute stereochemistry of the cyclopentyl derivative (E)-8 has been established by X-ray crystallographic analysis of carbamate 10. The ability to assign an absolute configuration to allylic alcohols 3, based on the NMR methods described earlier by Riguera, has been evaluated.

  本研究介绍了使用科里噁唑硼烷 2 对一系列具有一般结构 1 的手性烯酮进行不对称还原，从而得到对映体富集的烯丙基环烷醇 3 的过程。在分别基于环己酮和环戊酮的 (E)- 和 (Z)-4 和 (E)- 和 (Z)-7 两个系统中，探究了烯烃几何形状对不对称还原过程的意义 (Rvs. S) 和效率 (% ee) 的影响。通过对氨基甲酸酯 10 进行 X 射线晶体分析，确定了环戊基衍生物 (E)-8 的绝对立体化学结构。根据 Riguera 早先描述的核磁共振方法，对分配烯丙基醇 3 绝对构型的能力进行了评估。
• Catalytic Asymmetric Construction of Spirocycles Containing Pyrrolidine Motifs and Spiro Quaternary Stereogenic Centers via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 2-Alkylidene-Cycloketones
  作者：Tang-Lin Liu、Zhao-Lin He、Qing-Hua Li、Hai-Yan Tao、Chun-Jiang Wang

  DOI：10.1002/adsc.201100104

  日期：2011.7

  The first catalytic asymmetric 1,3‐dipolar cycloaddition of azomethine ylides with various sterically hindered α,α,β‐trisubstituted 2‐alkylidene‐cycloketones has been developed successfully with silver acetate/TF‐BiphamPhos complex for the construction of spiro heterocyclic compounds containing pyrrolidine motifs and a spiro quaternary stereogenic carbon center. The highly efficient catalytic system exhibited

  已成功开发了乙酸银/ TF-BiphamPhos配合物成功开发出具有各种空间受阻α，α，β-三取代的2-亚烷基-环酮的偶氮甲亚胺的第一个催化不对称的1,3-偶极环加成反应，用于构建含吡咯烷的螺杂环化合物图案和螺旋四元立体立体碳中心。高效催化体系在温和条件下表现出高反应活性，出色的非对映选择性，良好的对映选择性和广泛的底物范围。随后的转化导致方便地制备合成有用的螺[吡咯烷-四氢吡喃酮]和螺[吡咯烷-异色喃-1-酮]，而不会损失非对映异构体和对映体过量。