1-溴-3-(2-氯乙基)苯 | 98545-55-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-溴-3-(2-氯乙基)苯
• 英文名称: 1-bromo-3-(2-chloroethyl)benzene
• CAS: 98545-55-2
• 化学式: C₈H₈BrCl
• 分子量: 219.509
• InChiKey: WGJAYACACWILMG-UHFFFAOYSA-N

物化性质

• 沸点：
  80-81 °C(Press: 1 Torr)
• 密度：
  1.465±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-溴-3-(2-氯乙基)苯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 3-溴苯乙烯
  参考文献：
  名称：

  Electronic Effects in Elimination Reactions. V. The E₂ Reaction of β-Phenylethyl Fluorides and Chlorides^1,2

  摘要：

  DOI：

  10.1021/ja01495a035
• 作为产物：
  描述：

  3-溴苯乙醇 在 2,2,2-三氯乙酰胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-溴-3-(2-氯乙基)苯
  参考文献：
  名称：

  级联生物羟基化和脱卤作用，用于从卤代烃一锅对映选择性合成旋光性β-卤代醇

  摘要：

  开发了立体选择性羟基化和对映选择性脱卤级联反应，用于从卤代烃合成旋光性β-卤代醇。该级联系统使用P450和卤代醇脱卤酶作为两种相容的生物催化剂，可以直接，绿色和高效地获得具有出色对映选择性（98-99％）的β-卤代醇。

  DOI：

  10.1039/c9gc01802f

文献信息

• QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS
  申请人：Ford Rhonan

  公开号：US20100113510A1

  公开（公告）日：2010-05-06

  The invention provides compounds of formula (I) wherein R 5 is a group of formula (II) or (III) and R 1 , R 2 , R 3 , R 4 , R 6 , a, b, Z, Y and X are as defined in the specification, a process for their preparation, pharmaceutical compositions containing them, a process for preparing pharmaceutical compositions, their use in therapy and intermediates of use in their preparation.

  该发明提供了以下公式(I)的化合物，其中R5是公式(II)或(III)的一个基团，而R1、R2、R3、R4、R6、a、b、Z、Y和X如规范中所定义，以及它们的制备方法、含有它们的药物组合物、制备药物组合物的方法、它们在治疗中的应用以及在它们的制备中使用的中间体。
• Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles
  申请人：Rohm and Haas Company

  公开号：US05087635A1

  公开（公告）日：1992-02-11

  This invention relates to substituted and unsubstituted alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles, their enantiomorphs, acid addition salts and metal salt complexes. These compounds, enantiomorphs, salts and complexes are highly active broad-spectrum systemic fungicides effective in controlling phytopathogenic fungi such as corn helminthosporium, barley helminthosporium, cucumber downy mildew, cucumber powdery mildew, cucumber anthracnose, botrytis, tomato early blight, tomato late blight, grape downy mildew, bean powdery mildew, peanut cercospora, rice blast, rice sheath blight, wheat leaf rust, wheat septoria nodorum, wheat powdery mildew and wheat stem rust. The invention also concerns a method of preparing alpha-aryl-alpha-triazolylmethylacetonitrile compounds by reacting an aryl-acetonitrile compound with a halomethyltriazole.

  本发明涉及取代和未取代的α-芳基-α-苯基乙基-1H-1,2,4-三唑-1-丙腈，它们的对映异构体，酸加成盐和金属盐络合物。这些化合物、对映异构体、盐和络合物是高效的广谱系统杀菌剂，能有效控制植物病原真菌，如玉米赤霉病菌、大麦赤霉病菌、黄瓜霜霉病、黄瓜白粉病、黄瓜炭疽病、灰霉病、番茄早疫病、番茄晚疫病、葡萄霜霉病、豆粉病、花生青枯病、水稻稻瘟病、水稻纹枯病、小麦叶锈病、小麦节疣病、小麦白粉病和小麦锈病。本发明还涉及通过将芳基-丙腈化合物与卤代甲基三唑反应制备α-芳基-α-三唑基甲基乙腈化合物的方法。
• Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
  作者：Nan-Wei Wan、Hai-Bo Cui、Ling Zhao、Jing Shan、Ke Chen、Zhong-Qiang Wang、Xiao-Jian Zhou、Bao-Dong Cui、Wen-Yong Han、Yong-Zheng Chen

  DOI：10.1039/d2cy00164k

  日期：——

  A colorimetric high throughput screening method was developed based on a dual-enzyme cascade and used for the directed evolution of cytochrome P450 hydroxylase activity.

  基于双酶级联反应，开发出一种比色高通量筛选方法，用于定向进化细胞色素P450羟化酶活性。
• Lithiophenylalkyllithiums: new dilithium reagents having both sp2- and sp3-hybridised remote carbanionic centres
  作者：Miguel Yus、Diego J Ramón、Inmaculada Gómez

  DOI：10.1016/s0022-328x(02)01473-0

  日期：2002.12

  The reaction of chloro-(2-chloroethyl)benzenes (1), 4-chloro-(3-chloropropyl)benzene (3) or 4-chlorophenyl chloromethyl ether (5) with lithium power using naphthalene as the electron shuttle (8 mol%) in the presence of different carbonyl compounds [Bu'CHO, PhCHO, Me2CO, Et2CO, (CH2)(5)CO, PhCOMe] in THF at -78 to 20 degreesC gives, after hydrolysis with water, the expected diols 2, 4 or 6, respectively. Bromo-2-(chloroethyl)benzenes (7) are treated with n-BuLi in THF at -100 degreesC, so the corresponding bromine-lithium exchanges takes place giving an intermediate, which is trapped by treatment with benzaldehyde or cyclohexanone, affording intermediates 9, which are submitted to a naphthalene-catalysed (8 mol%) lithiation with lithium power as above, followed by reaction with 3-pentanone and final hydrolysis with water, to give differently substituted diols 10. Some diols 2 are transformed into either the corresponding oxepane 11 or dienes 12 under Mitsunobu type conditions or by acidic treatment, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.
• MOLCHANOV, A. P.;PECHERITSYNA, YA. P.;KOSTIKOV, R. R., ZH. ORGAN. XIMII, 25,(1989) N, S. 1195-1200
  作者：MOLCHANOV, A. P.、PECHERITSYNA, YA. P.、KOSTIKOV, R. R.

  DOI：——

  日期：——