2-氯-4’-羟基苯甲酰苯胺 | 35607-02-4

• 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: 2-氯-4’-羟基苯甲酰苯胺
• 中文别名: 2-氯-4'-羟基苯甲酰苯胺；2-氯-N-(4-羟基苯基)苯甲酰胺
• 英文名称: 2-Chlor-4'-hydroxybenzanilid
• 英文别名: 2-Chloro-N-(4-hydroxyphenyl)benzamide
• CAS: 35607-02-4
• 化学式: C₁₃H₁₀ClNO₂
• mdl: MFCD00020144
• 分子量: 247.681
• InChiKey: OLWMCHGHFRPBTM-UHFFFAOYSA-N

物化性质

• 熔点：
  178 °C
• 沸点：
  342.4±27.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 聚合甲醛 、 2-氯-4’-羟基苯甲酰苯胺 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 2-chloro-N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]benzamide
  参考文献：
  名称：

  Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 2. Amides

  摘要：

  Thirty amides patterned after the antiarrhythmic drug changrolin were synthesized and their antiarrhythmic and parasympatholytic activities were assessed. There was no correlation between antiarrhythmic and parasympatholytic activities. Several of the amides were found to be potent antiarrhythmic agents that possessed low parasympatholytic activity. All of the compounds appear to act by a class I mechanism.

  DOI：

  10.1021/jm00376a022
• 作为产物：
  描述：

  对氨基苯酚 、 2-氯苯甲酸 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以61%的产率得到2-氯-4’-羟基苯甲酰苯胺
  参考文献：
  名称：

  Synthesis, antimicrobial, and QSAR studies of substituted benzamides

  摘要：

  A series of new substituted benzamides were synthesized and tested in vitro for their antibacterial activity against Grampositive and Gram-negative bacteria and as well for antifungal activity. The compounds 8i and 9 showed better activity among the different benzamides synthesized. The structural characteristics governing antibacterial activities of substituted benzamides were studied using QSAR methodology. The results showed that the antimicrobial activity could be modeled using the topological descriptors, molecular connectivity indices ((2)chi(v) and (2)chi) and Kiers shape index (kappa alpha(1)). The low residual activity and high cross-validated r(2) values (r(cv)(2)) observed indicated the predictive ability of the developed QSAR models. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.074

文献信息

• Modulators of peroxisome proliferator activated receptors
  申请人：Brooks Alisa Dawn

  公开号：US20050020684A1

  公开（公告）日：2005-01-27

  Disclosed is a compound represented by Structural Formula (I): Ar is a substituted or unsubstituted aromatic group. Q is a covalent bond, —CH 2 — or —CH 2 CH 2 —; W is a substituted or unsubstituted alkylene or a substituted or unsubstituted heteroalkylene linking group from two to ten atoms in length, preferably from two to seven atoms in length. Phenyl Ring A is optionally substituted with up to four substituents in addition to R 1 and W, R 2 is (CH 2 ) n —CH(OR 2 )—(CH 2 ) n E, —(CH)═C(OR 2 )—(CH 2 ) n E, —(CH 2 ) n —CH(Y)—(CH 2 ) m E or (CH)═C(Y)(CH 2 ) m E; wherein E is COOR 3 , C 1 -C 3 alkylnitrile, carboxamide, sulfonamide, acylsulfonamide or tetrazole and wherein sulfonamide, acylsulfonamide and tetrazole are optionally substituted with one or more substituents independently selected from: C 1 -C 6 alkyl, haloalkyl and aryl-C o - 4 -alkyl; R 2 is H, an aliphatic group, a substituted aliphatic group, haloalkyl, an aromatic group, a substituted aromatic group, —COR 4 , —COOR 4 , —CONR 5 R 6 , —C(S)R 4 , —C(S)OR 4 or C(S)NR 5 R 6 , R 3 is H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. Y is O—, CH 2 —, CH 2 CH 2 — or CH═CH— and is bonded to a carbon atom in Phenyl Ring A that is ortho to R 1 . R 4 -R 6 are independently H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. n and m are independently 0, 1 or 2.

  本发明公开了一种由结构式（I）表示的化合物：其中Ar是取代或未取代的芳香基团。Q是共价键，-CH2-或-CH2CH2-; W是取代或未取代的烷基或取代或未取代的异烷基连接基，长度为两到十个原子，优选长度为两到七个原子。苯环A可选地与R1和W以外的最多四个取代基取代，R2是（CH2）n-CH（OR2）-（CH2）nE，-（CH）=C（OR2）-（CH2）nE，-（CH2）n-CH（Y）-（CH2）mE或（CH）=C（Y）（CH2）mE;其中E是COOR3，C1-C3烷基腈，羧酰胺，磺酰胺，酰基磺酰胺或四唑，磺酰胺，酰基磺酰胺和四唑可选地与一个或多个取代基取代，独立地选自：C1-C6烷基，卤代烷基和芳基-Co-4-烷基; R2是H，脂肪基，取代脂肪基，卤代烷基，芳基，取代芳基，-COR4，-COOR4，-CONR5R6，-C（S）R4，-C（S）OR4或C（S）NR5R6，R3是H，脂肪基，取代脂肪基，芳基或取代芳基。Y是O-，CH2-，CH2CH2-或CH═CH-，并与Phenyl环A中与R1相邻的碳原子键合。R4-R6独立地是H，脂肪基，取代脂肪基，芳基或取代芳基。n和m独立地为0、1或2。
• Poly carbonates endowed with high-fluidity characteristics and process for preparing them
  申请人：ENICHEM S.p.A.

  公开号：EP0409313A2

  公开（公告）日：1991-01-23

  Linear, thermoplastic, aromatic polycarbonates having an average viscosimetric molecular weight comprised within the range of from 10,000 to 30,000, endowed with high fluidity in the molten state, are obtained by means of the use of chain capping agents of the kind of aromatic or cycloaliphatic p-hydroxyanilides, having the general formula: wherein: R is an either linear or branched alkyl radical, containing from 1 to 4 carbon atoms, or is a hydrogen atom or is a halogen atom; R₁ is either hydrogen or halogen; and the corresponding compounds in which the ring bearing the R and R₁ substituents is a saturated ring.

  通过使用芳香族或环脂族对羟基苯胺类链封端剂，可获得线性、热塑性、芳香族聚碳酸酯，其平均粘度分子量在 10,000 至 30,000 之间，在熔融状态下具有高流动性： 其中 R 是含有 1 至 4 个碳原子的直链或支链烷基，或者是氢原子，或者是卤素原子； R₁ 是氢原子或卤素原子； 以及含有 R 和 R₁ 取代基的环为饱和环的相应化合物。
• MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1392637A2

  公开（公告）日：2004-03-03
• 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1638556B1

  公开（公告）日：2008-04-02
• US7192982B2
  申请人：——

  公开号：US7192982B2

  公开（公告）日：2007-03-20