4,5-dihydro-2-(2-nitrophenyl)oxazole | 88186-34-9

• 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: 4,5-dihydro-2-(2-nitrophenyl)oxazole
• 英文别名: 2-(2-nitro-phenyl)-4,5-dihydro-oxazole；2-(2-Nitro-phenyl)-4,5-dihydro-oxazol；2-(2-Nitrophenyl)-4,5-dihydro-1,3-oxazole
• CAS: 88186-34-9
• 化学式: C₉H₈N₂O₃
• 分子量: 192.174
• InChiKey: WWAVBGLVCHHDBK-UHFFFAOYSA-N

物化性质

• 熔点：
  52-53 °C
• 沸点：
  175 °C(Press: 5 Torr)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-2-(2-nitrophenyl)oxazole 在 sodium tetrahydroborate 、 nickel dichloride 作用下， 以 甲醇 为溶剂， 以90%的产率得到邻硝基苯甲醛
  参考文献：
  名称：

  通过NiCl 2还原和恶唑啉水解合成芳香醛

  摘要：

  用NiCl 2 / NaBH 4还原2-芳基-恶唑啉，然后水解，得到相应的醛，收率很高。

  DOI：

  10.1016/j.tetlet.2004.07.119
• 作为产物：
  描述：

  N-(2-溴乙基)-2-硝基苯甲酰胺 在 sodium hydroxide 作用下， 生成 4,5-dihydro-2-(2-nitrophenyl)oxazole
  参考文献：
  名称：

  Aminophenyl-2-oxazolines as Local Anesthetics

  摘要：

  DOI：

  10.1021/ja01290a042

文献信息

• Poly(N-bromo-N-ethyl-benzene-1,3-disulfonamide), N,N,N′,N′-tetrabromobenzene-1,3-disulfonamide as new efficient reagents for conversion of alcohols to THP ethers and aldehydes to oxazoline compounds
  作者：R. Ghorbani-Vaghei、S. Akbari-Dadamahaleh、M. Amiri

  DOI：10.1007/bf03246014

  日期：2010.6

  paper is concerned with an easy preparation of THP ethers from primary, secondary and tertiary alcohols and oxazoline compounds from various aldehydes using poly(N-bromo-N-ethyl-benzene-1,3-disulfonamide), N,N,N′,N′-tetrabromobenzene-1,3-disulfonamide [TBBDA] as new and efficient reagents under ambient conditions without over-oxidation.

  本文涉及使用聚（N-溴-N-乙基-苯-1,3-二磺酰胺），N，N，N'轻松地从伯醇，仲醇和叔醇制备THP醚和由各种醛类制备恶唑啉化合物的方法，N'-四溴苯-1,3-二磺酰胺[TBBDA]是在环境条件下没有过度氧化的新型高效试剂。
• A Convenient Synthesis of Oxazolines and Imidazolines from Aromatic Aldehydes with Pyridinium Hydrobromide Perbromide in Water
  作者：Shinsei Sayama

  DOI：10.1055/s-2006-941597

  日期：2006.6

  Various 2-oxazolines were prepared from aromatic aldehydes and 2-aminoethanol with pyridinium hydrobromide per­bromide in water at room temperature. 2-Imidazolines were also obtained in good yields from aromatic aldehydes and ethylenediamine under the same reaction conditions.

  以吡啶溴氢溴化物为催化剂，室温下在水中用芳香醛和2-氨基乙醇制备了多种2-噁唑啉。在相同反应条件下，芳香醛和乙二胺也能获得较高产率的2-咪唑啉。
• Estimation of the hydrophobicity of 2,4-diphenyl-1,3-oxazoline analogs and QSAR analysis of their ovicidal activity against Tetranycus urticae
  作者：Chieka Minakuchi、Junji Suzuki、Kazuya Toda、Miki Akamatsu、Yoshiaki Nakagawa

  DOI：10.1016/j.bmcl.2006.04.089

  日期：2006.8

  2-(substituted phenyl)-1,3-oxazoline analogs were empirically estimated from the corresponding substituted benzamides. The ovicidal activity of 2-(substituted phenyl)-4-phenyl-1,3-oxazoline analogs against the two-spotted spider mite Tetranychus [corrected] urticae was quantitatively analyzed using the classical QSAR (Hansch-Fujita) method. Results showed that ovicidal activity increases with hydrophobicity

  六个包含2-I，2-NO2、2-CF3、2,6-（CH3）2、2,6-F2和2-F-6-Cl的2-苯基-1,3-恶唑啉同类物的分配系数使用摇瓶摇动法在1-辛醇/水系统中测量苯基部分的取代基。对2-苯基-1,3-恶唑啉的苯基部分上的取代基的疏水性（LogP）的影响与苯甲酰胺同类物线性相关。从相应的取代的苯甲酰胺凭经验估计其他2-（取代的苯基）-1,3-恶唑啉类似物的logP值。使用经典的QSAR（Hansch-Fujita）方法定量分析了2-（取代的苯基）-4-苯基-1,3-恶唑啉类似物对两斑叶螨Tetranychus [校正的]荨麻疹的杀卵活性。结果表明，杀卵活性随疏水性的增加而增加。在邻位引入吸电子基团增加了杀卵活性，但增加空间位阻是不利的。在间位或对位处的取代对杀螨活性是有害的。
• Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests
  申请人：——

  公开号：US20040242645A1

  公开（公告）日：2004-12-02

  This invention pertains to compounds of Formula I, their N-oxides and suitable salts (Formula I) wherein A is O or S; G is a 5- or 6-membered heteroaromatic ring or a 5- or 6-membered nonaromatic heterocyclic ring optionally including one or two ring members selected from the group consisting of C(═O), SO or S(O) 2 , each ring optionally substituted with from one to four R 2 ; each J is independently a phenyl ring, a 5- or 6-membered heteroaromatic ring or an aromatic 8-, 9- or 10-membered fused carbobicyclic or heterobicyclic ring system, wherein each ring or ring system is optionally substituted with from one to four R 3 ; and R 1 , R 2 , R 3 , R 4 and n are as defined in the disclosure. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula I, an N-oxide thereof or a suitable salt of the compound (e.g., as a composition described herein). This invention also pertains to a composition for controlling an invertebrate pest comprising a biologically effective amount of a compound of Formula I, an N-oxide thereof or a suitable salt of the compound and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid diluents. 1

  本发明涉及式I的化合物，其N-氧化物和适宜的盐（式I）其中A是O或S; G是5-或6-成员杂芳环或5-或6-成员非芳杂环，可选地包括一个或两个环成员，所选自C（═O），SO或S（O）2的群，每个环可选地取代1-4个R2; 每个J是独立的苯环，5-或6-成员杂芳环或芳香8-、9-或10-成员融合碳杂双环系统，其中每个环或环系统可选地取代1-4个R3; R1、R2、R3、R4和n如本公开说明中所定义。本发明还公开了一种控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与式I的化合物，其N-氧化物或化合物的适宜盐的生物有效量接触（例如，作为本文所述的组合物）。本发明还涉及一种用于控制无脊椎动物害虫的组合物，其包括式I的化合物、其N-氧化物或化合物的适宜盐的生物有效量和至少一种来自表面活性剂、固体稀释剂和液体稀释剂的群体中选择的其他成分。
• Benzamide derivatives having a vasopressin antagonistic activity
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06316482B1

  公开（公告）日：2001-11-13

  This invention relates to new benzamide derivatives having a vasopressin antagonistic activity, etc. and represented by general formula (I): wherein R1 is aryl optionally substituted with lower alkoxy, etc., R2 is lower alkyl, etc., R3 is hydrogen, etc., A is NH, etc., E is etc., X is —CH═CH—, —CH═N—, or S, and Y is a condensed heterocyclic group, etc., and pharmaceutically acceptable salts thereof, to processes for preparation thereof and to a pharmaceutical composition comprising the same.

  本发明涉及一种具有抗加压素活性的新苯甲酰胺衍生物，其通式表示为（I）：其中，R1是芳基，可选用较低的烷氧基等进行取代；R2是较低的烷基等；R3是氢等；A是氨基等；E是等；X是—CH═CH—、—CH═N—或S；Y是缩合的杂环基等；以及其药学上可接受的盐，其制备方法和包含该物质的药物组合物。