1-chloro-1-(3-trifluoromethylphenyl)ethane | 154039-35-7

• 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: 1-chloro-1-(3-trifluoromethylphenyl)ethane
• 英文别名: 3-trifluoromethyl-1'-chloroethylbenzene；1-(3-trifluoromethylphenyl)ethyl chloride；1-(1-Chloroethyl)-3-(trifluoromethyl)benzene
• CAS: 154039-35-7
• 化学式: C₉H₈ClF₃
• 分子量: 208.611
• InChiKey: KAKXYLKQHBBYAT-UHFFFAOYSA-N

物化性质

• 沸点：
  183.2±35.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-chloro-1-(3-trifluoromethylphenyl)ethane 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 乙醇 、 正庚烷 、 水 为溶剂， 以78.1%的产率得到O-{1-(3-trifluoromethylphenyl)ethyl}-acetohydroxamate
  参考文献：
  名称：

  EP949243

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(3-三氟甲基苯基)乙醇 在 氯化亚砜 作用下， 生成 1-chloro-1-(3-trifluoromethylphenyl)ethane
  参考文献：
  名称：

  EP838452

  摘要：

  公开号：

文献信息

• Practical Asymmetric Synthesis of (<i>S</i>)-MA20565, a Wide-Spectrum Agricultural Fungicide
  作者：Ken Tanaka、Manabu Katsurada、Fumihiko Ohno、Yasushi Shiga、Masatsugu Oda、Miwa Miyagi、Jun Takehara、Kazuya Okano

  DOI：10.1021/jo991271z

  日期：2000.1.1

  A practical asymmetric synthesis of a wide-spectrum agricultural fungicide, (S)-MA20565 (1), is described. The convergent synthesis was achieved starting from commercially available 3-(trifluoromethyl)aniline (7) in 44% overall yield through five steps and 2-bromobenzaldehyde (9) in 48% overall yield through four steps, respectively. (S)-O-[1-(3-Trifluoromethylphenyl)ethyl]hydroxylamine (2), a key

  描述了一种实用的不对称合成广谱农业杀菌剂，（S）-MA20565（1）。收敛的合成分别从市售的3-（三氟甲基）苯胺（7）通过五个步骤以44％的总收率和2-溴苯甲醛（9）通过四个步骤以48％的总收率开始实现。（S）-O- [1-（3-三氟甲基苯基）乙基]羟胺（2），是通过钌（II）催化的1-（3-三氟甲基苯基）乙酮的不对称转移氢化反应制备的关键中间体1， ），然后使用甲磺酰氯进行氯化，并使用乙酰羟肟酸钾进行高水平立体控制的氧化作用。
• Benzamide derivatives and their use as apob-100 and mtp inhibitors
  申请人：——

  公开号：US20040024215A1

  公开（公告）日：2004-02-05

  The present invention relates to a compound of formula (I); wherein R 1 represents isopropyl or trifluoromethyl; R 2 represents hydrogen, C 1-4 alkyl, chloro, fluoro or trifluoromethyl; R 3 represents(i) phenyl, optionally substituted by cyano, halogen, trifluoromethyl or an optionally substituted 5-membered heteroaromatic group, where optional substitution is effected by C 1-4 alkyl, (ii) a 5-membered heteroaromatic group, optionally substituted by halogen, cyano or C 1-4 alkyl, (ii) aminocabonyl, or(iv) ethyl or eth-1-enyl; R 4 represents cyano, methyl, acetyl, a 5-membered heteoaromatic group, optionally substituted by C 1-4 alkyl or phenyl or a group X—Y-Z; X represents a carboxy, oxo, C 1-6 alkylene, carboxamido or thiocarboxamido linking group; Y represents a direct link or C 1-4 alkylene, Z represents (i) hydrogen, (ii) trifluoromethyl, (iii) cyano, (iv) phenyl (v) a 5- or 6-membered heteroaromatic group, optionally substituted by C 1-4 alkyl, with the proviso that when X represents C 1-4 alkylene, Y and Z do not represent a direct link and hydrogen respectively, or when X represents oxo, Y and Z do not represent C 1-6 alkylene and hydrogen respectively; or a physiologically acceptable salt, solvate or derivative thereof, to compositions comprising the compound, processes for their preparation and their use in treating conditions ameliorated by an apoB-100 and/or MTP inhibitor. 1

  本发明涉及一种具有如下结构的化合物（I）；其中R1代表异丙基或三氟甲基；R2代表氢、C1-4烷基、氯、氟或三氟甲基；R3代表（i）苯基，可选择由氰基、卤素、三氟甲基或可选择由C1-4烷基取代的5-成员杂芳基取代，（ii）一个可选择由卤素、氰基或C1-4烷基取代的5-成员杂芳基，（iii）氨基甲酰基，或（iv）乙基或乙-1-烯基；R4代表氰基、甲基、乙酰基、一个可选择由C1-4烷基或苯基取代的5-成员杂芳基，或一个X—Y-Z基团；X代表羧基、氧代、C1-6烷基、羧胺基或硫代羧胺基连接基团；Y代表直接键或C1-4烷基，Z代表（i）氢、（ii）三氟甲基、（iii）氰基、（iv）苯基、（v）一个可选择由C1-4烷基取代的5-或6-成员杂芳基，但有一个条件，即当X代表C1-4烷基时，Y和Z不分别代表直接键和氢，或当X代表氧代时，Y和Z不分别代表C1-6烷基和氢；或其生理上可接受的盐、溶剂合物或衍生物，以及包含该化合物的组合物、其制备方法及其在治疗由apoB-100和/或MTP抑制剂改善的疾病中的用途。
• Solvent-free and catalyst-free direct alkylation of alkenes
  作者：Meng-Yao Li、Jiatong Li、Ao Gu、Xiao-Mei Nong、Shuyang Zhai、Zhu-Ying Yue、Chen-Guo Feng、Yingbin Liu、Guo-Qiang Lin

  DOI：10.1039/d3gc02685j

  日期：——

  A convenient method for synthesizing aryl-containing trisubstituted alkenes through direct alkylation of alkenes was successfully achieved under solvent-free and catalyst-free conditions. The absence of solvents was found to be crucial in initiating this sequence. Moreover, this protocol stands out due to its minimal waste production and straightforward operation. The radical capture experiment provided

  成功实现了在无溶剂、无催化剂条件下通过烯烃直接烷基化合成含芳基三取代烯烃的简便方法。发现不存在溶剂对于启动该序列至关重要。此外，该协议因其废物产生最少且操作简单而脱颖而出。自由基捕获实验为离子反应机制提供了证据。
• PROCESS FOR PRODUCING N-METHYL-METHOXYIMINOACETAMIDE DERIVATIVES AND INTERMEDIATES THEREOF
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0838452A1

  公开（公告）日：1998-04-29

  A method for producing an N-methyl-methoxyiminoacetamide derivative represented by the following general formula (I) (wherein R3 represents a hydrogen atom or a group represented by a general formula -C(R4)(R5)-Ar (wherein R4 and R5 independently represent a hydrogen atom or a C1-C4 alkyl group and Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group)), which comprises allowing an acetal derivative represented by the following general formula (III) (wherein R1 and R2 independently represent a C1-C4 alkyl group, or R1 and R2 in combination represent a C2-C4 alkylene group) to react with an oxyamine derivative represented by the following general formula (II)         H2NO-R3     (II). The compound of general formula (I) is an excellent agricultural horticultural fungicide described in an unexamined published Japanese patent application (kokai) No. 7-076564.

  一种生产由以下通式(I)代表的N-甲基-甲氧基亚氨基乙酰胺衍生物的方法 (其中 R3 代表氢原子或通式-C(R4)(R5)-Ar 所代表的基团（其中 R4 和 R5 独立地代表氢原子或 C1-C4 烷基，Ar 是任选取代的芳基或任选取代的杂芳基））的方法，该方法包括允许得到由以下通式（III）代表的缩醛衍生物 (其中 R1 和 R2 分别代表一个 C1-C4 烷基，或 R1 和 R2 组合代表一个 C2-C4 亚烷基）与下 列通式（II）代表的氧胺衍生物反应 H2NO-R3 (II). 通式 (I) 的化合物是一种优良的农业园艺杀真菌剂，已公开的日本专利申请（kokai）第 7-076564 号未经审查。
• OPTICALLY ACTIVE METHOXYIMINOACETAMIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM, INTERMEDIATES THEREFOR, AND PESTICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0949243A1

  公开（公告）日：1999-10-13

  An optically active methoxyiminoacetamide derivative represented by the following general formula (I) (in the above general formula, Ar represents an aryl group or a heteroaryl group, Y represents a hydrogen atom, a halogen atom, a C1-C4 alkyl group, a C1-C4 haloalkyl group, a C1-C4 alkoxy group, a C1-C4 haloalkoxy group, a C1-C4 alkylthio group, a C2-C6 alkynyloxy group, a cyano group, a nitro group or an aryl group and n is an integer of 1 to 3), wherein its angle of rotation shows a negative value in chloroform has markedly excellent activities as agricultural chemicals.

  由以下通式（I）代表的光学活性甲氧基亚氨基乙酰胺衍生物 (在上述通式中，Ar 代表芳基或杂芳基，Y 代表氢原子、卤素原子、C1-C4 烷基、C1-C4 卤代烷基、C1-C4 烷氧基、C1-C4 卤代烷氧基、C1-C4 烷硫基、C2-C6 炔氧基、氰基、硝基或芳基，n 为 1 至 3 的整数），其中它在氯仿中的旋转角为负值，具有明显优异的农用化学品活性。