3'-己氧基苯乙酮 | 37062-71-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3'-己氧基苯乙酮
• 英文名称: 3-hexyloxyacetophenone
• 英文别名: 1-(3-hexyloxyphenyl)ethanone；1-[3-(hexyloxy)phenyl]ethan-1-one；3'-Hexyloxyacetophenone；1-(3-hexoxyphenyl)ethanone
• CAS: 37062-71-8
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: PZHLAKHVPWDONN-UHFFFAOYSA-N

物化性质

• LogP：
  4.525 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  3'-己氧基苯乙酮 在 甲醇 、 sodium hydride 、 甲基磺酰氯 、 三乙胺 作用下， 以 乙二醇二甲醚 为溶剂， 反应 25.0h， 生成 (S)-2-Amino-4-{(R)-1-(carboxymethyl-carbamoyl)-2-[(E)-3-(3-hexyloxy-phenyl)-3-oxo-propenylsulfanyl]-ethylcarbamoyl}-butyric acid
  参考文献：
  名称：

  Practical, stable standards for the reversed phase HPLC analysis of peptidic leukotrienes

  摘要：

  DOI：

  10.1016/s0040-4039(01)80976-x
• 作为产物：
  描述：

  溴己烷 、 3-羟基苯乙酮 在 sodium methylate 作用下， 以 二甲基亚砜 为溶剂， 生成 3'-己氧基苯乙酮
  参考文献：
  名称：

  Reactivity in Micelles - Are We Really Able to Design Micellar Catalysts?

  摘要：

  脂溶性烷基吡啶-2-酮肟1与Ni2+离子的配位，脂溶性3-烷氧基苯乙酮2与硼氢化钠的还原反应，以及对硝基苯基二苯酚磷酸酯（PNPDPP）的碱性水解被用作探究哪些因素可能影响胶束系统中有机化合物的反应性的探针。在所有这些反应中，溶解在胶束核心中的脂溶性底物被来自大量水相的亲水试剂攻击。为了评估胶束表面电荷与试剂之间静电相互作用对观察到的反应性的贡献，我们结合了涉及相反极性试剂（Ni2+阳离子和硼氢化物或氢氧根阴离子）的反应与十六烷基三甲基溴化铵（CTAC）或氯化铵（CTAB）的带正电的胶束以及十二烷基硫酸钠（SDS）的带负电的胶束。非离子胶束（Triton X-100或Brij 35）作为参考。动力学研究结果表明，每个研究系统都具有独特的特性，特别是在某些方面超出了胶束中反应性的通常接受概念的范围。

  DOI：

  10.1135/cccc20080127

文献信息

• New cyclometallated platinum(II) compounds with thiosemicarbazones: crystal and molecular structure of [Pt{4-MeC6H3C(Me)NNC(S)NH2}(PPh3)]
  作者：Digna Vázquez-Garcı́a、Alberto Fernández、Jesús J Fernández、Margarita López-Torres、Antonio Suárez、Juan M Ortigueira、José M Vila、Harry Adams

  DOI：10.1016/s0022-328x(99)00624-5

  日期：2000.2

  Treatment of the thiosemicarbazones 3-CH3(CH2)5OC6H4C(Me)NN(H)C(S)NH2 (a), 4-MeC6H4C(Me)NN(H)C(S)NH2 (b), C6H5C(Et)NN(H)C(S)NH2 (c), C6H5CCH3(CH2)10}NN(H)C(S)NH2 (d) and 4-MeC6H4C(Me)NN(H)C(S)NHMe (e) with K2[PtCl4] gives tetranuclear platinum(II) compounds 1a–1e with deprotonation of the NH group and with the ligand acting as a terdentate [C,N,S] moiety. Reaction of 1a–1e with PPh3 and

  硫代半脲酮3-CH 3（CH 2）5 OC 6 H 4 C（Me）NN（H）C（S）NH 2（a），4-MEC 6 H 4 C（Me）NN（ H）C（S）NH 2（b），C 6 H 5 C（Et）NN（H）C（S）NH 2（c），C 6 H 5 C CH 3（CH 2）10 }NN（H）C（S）NH 2（d）和4-MEC 6 ħ 4 C（Me）的NN（H）C（S）NHMe（Ë）用K 2 [PtCl 4 ]生成四核铂（II）化合物1a - 1e，其中NH 3基团去质子化，并且配体充当[C，N，S]齿状部分。1a – 1e与PPh 3的反应和1a与P（4-MeOC 6 H 4）3的反应分别产生单核物质2a – 2e和3a。的治疗1A与二膦博士2 PCH 2 PPH 2（DPPM）中，Ph 2 P（CH 2）2 PPh 2（dppe），Ph 2 P（CH 2）3 PPh 2（dppp），Ph
• Design, Synthesis, Biological Evaluation and Inhibition Mechanism of 3-/4-Alkoxy Phenylethylidenethiosemicarbazides as New, Potent and Safe Tyrosinase Inhibitors
  作者：Senchuan Song、Yuliang Mai、Huahong Shi、Bing Liao、Fei Wang

  DOI：10.1248/cpb.c19-00949

  日期：2020.4.1

  Tyrosinase plays important roles in many different disease related processes, and the development of its inhibitors is particularly important in biotechnology. In this study, thirty-nine 3-/4-alkoxyphenylethylidenethiosemicarbazides were synthesized as novel tyrosinase inhibitors based on structure-based molecular design. Our experimental results demonstrated that thirty-one of them possess remarkable tyrosinase inhibitory activities with IC50 value below 1 µM, and 5a, 6e, 6g and 6t did not display any toxicity to 293T cell line at the concentration of 1000 µmol/L. According to the inhibitory activities, several compounds were selected for detail investigation on the structure–activity relationships (SARs), mechanisms of enzyme inhibition, inhibitory kinetics and cytotoxicity. In particular, the interaction between the selected inhibitors and the active center of tyrosinase was considered and discussed in detail based on their structural characteristics. Taken together, the results presented here demonstrated that the newly designed compounds are promising candidates for the treatment of tyrosinase-related disorders and further development of them may have significant contribution in biomedical science.

  酪氨酸酶在多种与疾病相关的过程中扮演重要角色，其抑制剂的研发在生物技术领域尤为重要。本研究基于结构导向的分子设计，合成了39种新颖的3-/4-烷氧基苯乙烯基二唑半卡巴唑类化合物作为酪氨酸酶抑制剂。我们的实验结果显示，其中31种化合物的酪氨酸酶抑制活性显著，IC50值低于1µM，且5a、6e、6g和6t在1000µmol/L浓度下对293T细胞系无毒性。根据抑制活性，选取了若干化合物详细研究了构效关系、酶抑制机制、抑制动力学及细胞毒性。特别是，基于这些化合物的结构特征，详细考虑并讨论了所选抑制剂与酪氨酸酶活性中心的相互作用。综上所述，本研究结果表明，新设计的化合物是治疗与酪氨酸酶相关疾病的潜在候选药物，其进一步开发可能对生物医学科学产生重大贡献。
• Calcium receptor active compounds
  申请人：NPS Pharmaceuticals, Inc.

  公开号：US20030176485A1

  公开（公告）日：2003-09-18

  A novel calcium receptor active compound having the formula is provided: Ar 1 —[CR 1 R 2 ] p —X—[CR 3 R 4 ] q —[CR 5 R 6 ]—NR 7 —[CR 8 R 9 ]—Ar 2 wherein: Ar 1 is selected from the group consisting of aryl, heteroaryl, bis(arylmethyl)amino, bis(heteroarylmethyl)amino and arylmethyl(heteroarylmethyl) amino; X is selected from the group consisting of oxygen, sulfur, sulfinyl, sulfonyl, carbonyl and amino; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are, for example, hydrogen or alkyl; Ar 2 is selected from the group consisting of aryl and heteroaryl; p is an integer of from 0 to 6, inclusive; and, q is an integer of from 0 to 14, inclusive.

  提供一种具有以下式子的新型钙受体活性化合物：Ar1—[CR1R2]p—X—[CR3R4]q—[CR5R6]—NR7—[CR8R9]—Ar2其中：Ar1选自芳基、杂芳基、双(芳基甲基)氨基、双(杂芳基甲基)氨基和芳基甲基(杂芳基甲基)氨基的群；X选自氧、硫、亚磺酰基、磺酰基、羰基和氨基的群；R1、R2、R3、R4、R5、R6、R7、R8和R9例如是氢或烷基；Ar2选自芳基和杂芳基的群；p为0至6的整数，包括0和6；q为0至14的整数，包括0和14。
• Calcium receptor-active compounds
  申请人：NPS Pharmaceuticals, Inc.

  公开号：US20020107406A1

  公开（公告）日：2002-08-08

  A novel calcium receptor active compound having the formula is provided: Ar 1 —[CR 1 R 2 ] p —X—[CR 3 R 4 ] q —[CR 5 R 6 ]—NR 7 —[CR 8 R 9 ]—Ar 2 wherein: Ar 1 is selected from the group consisting of aryl, heteroaryl, bis(arylmethyl)amino, bis(heteroarylmethyl)amino and arylmethyl(heteroarylmethyl) amino; X is selected from the group consisting of oxygen, sulfur, sulfinyl, sulfonyl, carbonyl and amino; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are, for example, hydrogen or alkyl; Ar 2 is selected from the group consisting of aryl and heteroaryl; p is an integer of from 0 to 6, inclusive; and, q is an integer of from 0 to 14, inclusive.

  提供了具有以下结构的一种新型钙受体活性化合物：Ar1—[CR1R2]p—X—[CR3R4]q—[CR5R6]—NR7—[CR8R9]—Ar2其中：Ar1选择自芳基、杂芳基、双(芳基甲基)氨基、双(杂芳基甲基)氨基和芳基甲基(杂芳基甲基)氨基的群；X选择自氧、硫、亚硫基、磺酰基、羰基和氨基的群；R1、R2、R3、R4、R5、R6、R7、R8和R9例如是氢或烷基；Ar2选择自芳基和杂芳基的群；p是从0到6的整数，包括0和6；q是从0到14的整数，包括0和14。
• TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299146A1

  公开（公告）日：2015-10-22

  The compound represented by formula (1): wherein R 4 and R 5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R 6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R 7 , R 8 , and R 9 each represents a hydrogen atom, a halogen atom, or the like; R 10 represents a C1-C3 alkyl group, or the like; R 13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

  式(1)所代表的化合物：其中，R4和R5分别表示氢原子、卤素原子或C1-C3烷基；R6表示C1-C4烷基、C3-C6环烷基或类似物；R7、R8和R9分别表示氢原子、卤素原子或类似物；R10表示C1-C3烷基或类似物；R13表示C1-C3烷基或类似物；Q表示苯基或类似物。该化合物对害虫有极好的控制效果。