2-甲基-6-苯基苯并恶唑 | 61309-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 2-甲基-6-苯基苯并恶唑
• 英文名称: 2-Methyl-6-phenylbenzoxazole
• 英文别名: 2-methyl-6-phenyl-benzooxazole；2-methyl-6-phenyl-1,3-benzoxazole
• CAS: 61309-99-7
• 化学式: C₁₄H₁₁NO
• 分子量: 209.247
• InChiKey: OZMVIYVBZSEPDZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.155

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲基-6-苯基苯并恶唑 在 正丁基锂 、 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.83h， 生成 ethyl 2-(6-phenylbenzo[d]oxazol-2-yl)hepta-5,6-dienoate
  参考文献：
  名称：

  铑催化的 2-烯基苯并恶唑的对映选择性环化

  摘要：

  报道了 2-烯基苯并恶唑对映选择性铑催化环化成相应的乙烯基官能化稠合杂环结构。该方法具有多种优点，包括使用低催化剂负载量、市售催化剂前体和温和的反应条件。由于其广泛的范围、可扩展性和有价值的产品，我们认为这种方法是构建含苯并恶唑结构单元的有用工具。

  DOI：

  10.1021/acs.orglett.4c00526
• 作为产物：
  描述：

  N-(1,1'-联苯)-4-基-N-(磺基氧基)乙酰胺单钾盐 以 甲醇 为溶剂， 生成 2-甲基-6-苯基苯并恶唑
  参考文献：
  名称：

  Nucleophilic aromatic substitution on ester derivatives of carcinogenic N-arylhydroxamic acids by aniline and N,N-dimethylaniline

  摘要：

  Decomposition of N-(pivaloyloxy)-2-(acetylamino)fluorene (1b) and N-(sulfonatooxy)-4-(acetylamino)-biphenyl (2a) in MeOH occurs predominately via N-0 bond cleavage to yield oxazoles (5, 6, 23), methoxy adducts (7,8,24,25,26), and rearrangement products (10b,11b,28). Minor ester methanolysis paths lead to the N-arylhydroxamic acids (9, 27). In the presence of 0.1 M aniline (3), 1b yields a number of adducts (14-18) identical to those previously obtained from the reaction of 3 with N-(sulfonatooxy)-2-(acetylamino)fluorene (1a). This occurs with no change in the rate constant for decomposition of 1b. At 0.1 M 3 all solvolysis products of 1b, except the rearrangement products 10 band 11b, are reduced below detectable levels. Similar results were obtained for 2a, which yields the adducts 30-35 in the presence of 3 and 36-38 in the presence of N,N-dimethylaniline (4). These results are consistent with a mechanism (Scheme V) in which the N-O bond heterolysis leads to a tight ion pair that can undergo internal return to yield the rearrangement products or diffusional separation to yield the free ion. The free nitrenium ion can be trapped by solvent or added nucleophiles. Both the N-acetyl-N-(4-biphenylyl)nitrenium ion (45) and the N-acetyl-N-(2-fluorenyl)nitrenium ion (48) react slowly enough with the solvent to undergo selective reaction with strong nucleophiles. Since 1a, 1b, and 2a span the reactivity range of the ester derivatives of the common N-arylhydroxamic acids which undergo N-O bond heterolysis in H2O, it appears that all of the carcinogenic esters will react with simple aromatic amines via an S(N)1 mechanism.

  DOI：

  10.1021/jo00079a028

文献信息

• OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20120253040A1

  公开（公告）日：2012-10-04

  Disclosed is a compound which is useful as an endothelial lipase inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is aromatic carbocycle or aromatic heterocycle, Z is —NR 5 —, —O— or —S—, R 5 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl or the like, R 1 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, R 2 and R 3 are each independently hydrogen, halogen, hydroxy or the like, R 4 is a group represented by the formula: —(CR 6 R 7 )n-R 8 , wherein R 6 and R 7 are each independently hydrogen, halogen, hydroxy or the like, n is an integer of 0 to 3, R 8 is carboxy, cyano, substituted or unsubstituted alkyl or the like, R x is halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, m is an integer of 0 to 3.

  揭示了一种作为内皮酶抑制剂有用的化合物。 一种由下式表示的化合物： 其药学上可接受的盐，或其溶剂化合物， 其中 环A是芳香碳环或芳香杂环， Z是-NR 5 —，-O-或-S-， R 5 是氢，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基或类似物， R 1 是氢，卤素，羟基，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基或类似物， R 2 和R 3 各自独立地是氢，卤素，羟基或类似物， R 4 是由下式表示的基团：-(CR 6 R 7 )n-R 8 ， 其中R 6 和R 7 各自独立地是氢，卤素，羟基或类似物，n是0到3的整数，R 8 是羧基，氰基，取代或未取代的烷基或类似物， R x 是卤素，羟基，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基或类似物， m是0到3的整数。
• 12. Anil-Synthese. 17. Mitteilung. Über die Herstellung von styryl-derivaten des 2-phenyl-4<i>H</i>-1,2,4-triazolo [1,5-<i>a</i>]pyridins
  作者：Jean-Paul Pauchard、Adolf Emil Siegrist

  DOI：10.1002/hlca.19780610115

  日期：1978.1.25

  Preparation of styryl derivatives of 2-phenyl-4H-1,2,4-triazolo [1,5-a]pyridine

  2-苯基-4 H -1,2,4-三唑并[1,5- a ]吡啶的苯乙烯基衍生物的制备
• Anil-Synthese. 14. Mitteilung. Über die Darstellung von heterocyclisch substituierten Styryl-Derivaten des<i>2H</i>-1,2,3-Triazols
  作者：Adolf Emil Siegrist、Géza Kormány、Guglielmo Kabas

  DOI：10.1002/hlca.19760590722

  日期：1976.11.3

  Preparation of heterocyclic substituted styryl derivatives of 2H-1,2,3-triazole.

  2H -1,2,3-三唑杂环取代的苯乙烯基衍生物的制备。
• Novak Michael, Rangappa Kanchugarakoppal, Manitsas Rebecca K., J. Org. Chem, 58 (1993) N 27, S 7813- 7821
  作者：Novak Michael, Rangappa Kanchugarakoppal, Manitsas Rebecca K.

  DOI：——

  日期：——
• PHOTOSENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20200183279A1

  公开（公告）日：2020-06-11

  A photosensitive resin composition includes a resin having a constitutional unit having an acid-decomposable group, a photoacid generator, a solvent, and a compound represented by Formula D. In Formula D, X D represents an O atom or an S atom, R 1D represents a hydrogen atom, a hydrocarbon group, an acyl group, an acyloxy group, or an alkoxycarbonyl group, R 2D represents a substituent, nD represents an integer from 0 to 4, and two or more of R 2D 's may be bonded to each other to form a ring.