4-(2-chlorophenyl)butanal | 54784-82-6

• 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: 4-(2-chlorophenyl)butanal
• CAS: 54784-82-6
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: WLSOYOWZPJIYJG-UHFFFAOYSA-N

物化性质

• 沸点：
  277.2±23.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  4-(2-chlorophenyl)butanal 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以76%的产率得到4-(2-chlorophenyl)butanol
  参考文献：
  名称：

  Palladium-Catalyzed Intramolecular C−O Bond Formation

  摘要：

  A number of oxygen heterocycles were synthesized using the palladium-catalyzed intramolecular etherification of aryl halides by employing di-tert-butylphosphinobiaryl ligands. The reaction proceeds under mild conditions using weak bases such as Cs2CO3 or K3PO4. A variety of functional groups are tolerated in the reaction. and enantioenriched alcohols can be coupled without erosion of optical purity. The mildness of the reaction conditions allows for the use of polyfunctionalized substrates. This method was used as the key step in the synthesis of MKC-242, an antidepressant currently in clinical trials. The synthesis of MKC-242 was achieved in 40% overall yield from commercially available sesamol and acrylonitrile,

  DOI：

  10.1021/ja012046d
• 作为产物：
  描述：

  (E)-1-chloro-2-(5-chloro-4-methylpent-3-en-1-yl)benzene 在 四丁基氯化铵 、 palladium diacetate 、 碳酸氢钠 、 palladium dichloride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 4-(2-chlorophenyl)butanal
  参考文献：
  名称：

  Enantioselective Carbocycle Formation through Intramolecular Pd-Catalyzed Allyl–Aryl Cross-Coupling

  摘要：

  Aryl electrophiles containing tethered allylboronate units undergo efficient intramolecular coupling in the presence of a chiral palladium catalyst to give enantioenriched carbocyclic products. The reaction is found to be quite general, affording 5, 6, and 7-membered carbocyclic products as single regioisomers and with moderate enantioselectivities. Examination of differential coupling partners points to rapid allyl-equilibration as a key stereodefining feature.

  DOI：

  10.1021/ol5019163

文献信息

• [EN] MULTIVALENT RAS BINDING COMPOUNDS<br/>[FR] COMPOSÉS DE LIAISON RAS MULTIVALENTS
  申请人：KYRAS THERAPEUTICS INC

  公开号：WO2017096045A1

  公开（公告）日：2017-06-08

  Described herein are compounds that modulate Ras signaling, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with altered Ras signaling. Further described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds and methods of using such compounds in the treatment of cell proliferative disorders, including cancer.

  本文描述了调节Ras信号传导的化合物，制备这种化合物的方法，包含这种化合物的药物组合物和药物，以及使用这种化合物治疗与改变的Ras信号传导相关的疾病、疾病或紊乱的方法。此外，本文还描述了化合物、制备这种化合物的方法、包含这种化合物的药物组合物和药物，并且使用这种化合物治疗细胞增殖紊乱，包括癌症的方法。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• Novel Cercosporamide Derivative
  申请人：Furukawa Akihiro

  公开号：US20090036492A1

  公开（公告）日：2009-02-05

  The present invention relates to a novel cercosporamide derivative, a pharmacologically acceptable salt thereof or an ester thereof which has an excellent hypoglycemic effect and is useful as a therapeutic and/or prophylactic agent for diabetes. A cercosporamide derivative having the general formula (I): [wherein X represents an oxygen atom or the like, R 1 represents a hydrogen atom or a C 1 -C 6 alkyl group, R 2 represents a hydrogen atom, a C 1 -C 6 alkyl group or a C 1 -C 6 halogenated alkyl group, R 3 represents a hydrogen atom or a C 1 -C 6 alkyl group, R 4 represents a C 6 -C 10 aryl group which may be substituted with one to five group(s) independently selected from Substituent Group a, or the like, n represents 1, 2 or 3, and Substituent Group a represents a halogen atom, a C 1 -C 6 alkyl group, a C 1 -C 6 halogenated alkyl group, a C 2 -C 6 alkenyl group, a C 2 -C 6 alkynyl group, a C 1 -C 6 alkoxy group, a C 1 -C 6 halogenated alkoxy group, a C 2 -C 6 alkenyloxy group, a C 2 -C 6 alkynyloxy group and the like], a pharmacologically acceptable salt thereof or an ester thereof.

  本发明涉及一种新型的环孢霉素衍生物，其具有优异的降血糖作用，可作为糖尿病治疗和/或预防制剂使用的药物学上可接受的盐或酯。 具有以下通式（I）的环孢霉素衍生物： [其中，X代表氧原子或类似物，R1代表氢原子或C1-C6烷基，R2代表氢原子、C1-C6烷基或C1-C6卤代烷基，R3代表氢原子或C1-C6烷基，R4代表C6-C10芳基，该芳基可被一个到五个独立选择的取代基a取代，n代表1、2或3，取代基a代表卤原子、C1-C6烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6炔基、C1-C6烷氧基、C1-C6卤代烷氧基、C2-C6烯氧基、C2-C6炔氧基等]，其药学上可接受的盐或酯。
• Brønsted-Acid-Catalyzed In Situ Formation of Acyclic Tertiary Enamides and Its Application to the Preparation of Diverse Nitrogen-Containing Heterocyclic Compounds
  作者：Yuan-Ren Ma、Xue-Jiao Lv、Qing Dong、Yong-Chao Ming、Yan-Kai Liu

  DOI：10.1021/acs.orglett.3c01919

  日期：2023.8.18

  A Brønsted acid-catalyzed cascade process, involving in situ formation of acyclic tertiary enamides and intramolecular Michael reaction, is developed for the synthesis of functionalized cyclic tertiary enamides. Based on the dual reactivities of the enamide moiety, several reaction sequences were realized by using rationally designed substrates, leading to biologically relevant nitrogen-containing

  布朗斯台德酸催化级联工艺，涉及无环叔烯酰胺的原位形成和分子内迈克尔反应，被开发用于合成官能化环状叔烯酰胺。基于烯酰胺部分的双重反应性，通过使用合理设计的底物实现了多个反应序列，以简洁和非对映控制的方式产生具有不同结构骨架的生物学相关的含氮杂环化合物。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。