N-(2-chloro-4-hydroxyphenyl)benzamide | 331776-50-2

• 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: N-(2-chloro-4-hydroxyphenyl)benzamide
• 英文别名: 4-amino-N-benzoyl-3-chlorophenol；N-benzoyl 2-chloro-4-hydroxyaniline
• CAS: 331776-50-2
• 化学式: C₁₃H₁₀ClNO₂
• mdl: MFCD20607843
• 分子量: 247.681
• InChiKey: GDUBEORGXBVKGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-氯苯基)-苯酰胺 在 三氟乙酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以39%的产率得到N-(2-chloro-4-hydroxyphenyl)benzamide
  参考文献：
  名称：

  Catalyst- and oxidant-free electrochemical para-selective hydroxylation of N-arylamides in batch and continuous-flow

  摘要：

  在室温下，开发了一种无催化剂、氧化剂、酸性溶剂和季铵盐的电化学对位选择性羟基化方法，可用于批量和连续流动的N-芳基酰胺。

  DOI：

  10.1039/d0gc02294b

文献信息

• Quinazoline derivatives and their use as pharmaceuticals
  申请人：AstraZeneca

  公开号：US07709479B1

  公开（公告）日：2010-05-04

  The use of a compound of formula (I) or a salt, ester, amide or prodrug thereof; where X is O, or S, S(O) or S(O)2, NH or NR12 where R12 is hydrogen or C1-6 alkyl; R5 is selected from a group NHC(O)OR9, NHC(O)R9, NHS(O)2R9, C(O)R9, C(O)OR9, S(O)R9, S(O)OR9, S(O)2OR9, C(O)NR10 R11, S(O)NR10R11 S(O)ONR10R11, where R9, R10 or R11 are various specified organic groups; R6 is hydrogen, optionally substituted hydrocarbyl or optionally substituted heterocyclyl; R7 and R8 are various specified organic groups, and R1, R2, R3, R4 are independently selected from halogeno, cyano, nitro, C1-3alkylsulphanyl, —N(OH)R13— (wherein R7 is hydrogen, or C1-3alkyl), or R15X1— (wherein X1 represents a direct bond, —O—, —CH2—, —OCO—, carbonyl, —S—, —SO—, —SO2—, —NR16CO—, —CONR16—, —SO2NR16—, —NR17SO2— or —NR18— (wherein R16, R17 and R18 each independently represents hydrogen, C1-3alkyl or C1-3alkoxy C2-3alkyl), and R9 is hydrogen, optionally substituted hydrocarbyl, optionally substituted heterocyclyl or optionally substituted alkoxy; in the preparation of a medicament for use in the inhibition of aurora 2 kinase.

  使用化合物式(I)或其盐、酯、酰胺或前药；其中X为O、S、S（O）或S（O）2、NH或NR12，其中R12为氢或C1-6烷基；R5选自NHC（O）OR9、NHC（O）R9、NHS（O）2R9、C（O）R9、C（O）OR9、S（O）R9、S（O）OR9、S（O）2OR9、C（O）NR10R11、S（O）NR10R11、S（O）ONR10R11等一组指定的有机基团，其中R9、R10或R11为不同的指定有机基团；R6为氢、可选取代的烃基或可选取代的杂环烃基；R7和R8为不同的指定有机基团，而R1、R2、R3、R4分别选自卤素、氰基、硝基、C1-3烷基硫醇基、-N（OH）R13-（其中R7为氢或C1-3烷基）或R15X1-（其中X1代表直接键、-O-、-CH2-、-OCO-、羰基、-S-、-SO-、-SO2-、-NR16CO-、-CONR16-、-SO2NR16-、-NR17SO2-或-NR18-（其中R16、R17和R18各自独立地代表氢、C1-3烷基或C1-3烷氧基C2-3烷基），而R9为氢、可选取代的烃基、可选取代的杂环烃基或可选取代的烷氧基，在制备用于抑制极光激酶2的药物时使用。
• Hydrohalogenation of N-acetyl(aroyl)-1,4-benzoquinone monoimines
  作者：A. P. Avdeenko、S. A. Konovalova、O. N. Ludchenko、O. P. Ledeneva、A. V. Vakulenko

  DOI：10.1134/s1070428011020102

  日期：2011.2

  New N-acetyl-1,4-benzoquinone monoimines alkyl-substituted in the quinoid ring were synthesized. The hydrohalogenation of N-acetyl(aroyl)-1,4-benzoquinone monoimines proceeds exclusively in keeping with the 1,4-addition. The hydrochlorination occurs along the ionic mechanism, in the hydrobromination grows the role of the radical mechanism.
• QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：AstraZeneca AB

  公开号：EP1218354A1

  公开（公告）日：2002-07-03
• US7709479B1
  申请人：——

  公开号：US7709479B1

  公开（公告）日：2010-05-04
• [EN] QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DERIVES DE QUINAZOLINE ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2001021596A1

  公开（公告）日：2001-03-29

  The use of a compound of formula (I) or a salt, ester, amide or prodrug thereof; where X is O, or S, S(O) or S(O)2, NH or NR12 where R12 is hydrogen or C¿1-6? alkyl; R?5¿ is selected from a group NHC(O)OR9, NHC(O)R9, NHS(O)¿2?R?9, C(O)R9¿, C(O)OR?9, S(O)R9¿, S(O)OR9, S(O)¿2OR?9, C(O)NR10 R11, S(O)NR10R11 S(O)ONR10R11, where R?9, R10 or R11¿ are various specified organic groups; R6 is hydrogen, optionally substituted hydrocarbyl or optionally substituted heterocyclyl; R?7 and R8¿ are various specified organic groups, and R?1, R2, R3, R4¿ are independently selected from halogeno, cyano, nitro, C¿1-3?alkylsulphanyl, -N(OH)R?13¿-(wherein R7 is hydrogen, or C¿1-3?alkyl), or R?15X1¿-(wherein X1 represents a direct bond, -O-, -CH¿2?-, -OCO-, carbonyl, -S-, -SO-, -SO2-, -NR?16¿CO-, -CONR16-, -SO¿2?NR?16-, -NR17SO¿2- or -NR18-(wherein R?16, R17 and R18¿ each independently represents hydrogen, C¿1-3?alkyl or C1-3alkoxy C2-3alkyl), and R?9¿ is hydrogen, optionally substituted hydrocarbyl, optionally substituted heterocyclyl or optionally substituted alkoxy; in the preparation of a medicament for use in the inhibition of aurora 2 kinase.