2-氯-5-苯基烟酸 | 117449-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯-5-苯基烟酸
• 英文名称: 2-chloro-5-phenyl-3-pyridinecarboxylic acid
• 英文别名: 2-chloro-5-phenylnicotinic acid；2-chloro-5-phenylpyridine-3-carboxylic acid
• CAS: 117449-73-7
• 化学式: C₁₂H₈ClNO₂
• 分子量: 233.654
• InChiKey: NBOKAEBXNZKDJZ-UHFFFAOYSA-N

物化性质

• 熔点：
  239-240 °C
• 沸点：
  434.6±45.0 °C(Predicted)
• 密度：
  1.355±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 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：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

SDS

2-氯-5-苯基烟酸MSDS英文版

反应信息

• 作为反应物：
  描述：

  2-氯-5-苯基烟酸 在 盐酸 、 氯化亚砜 作用下， 以 xylene 、 二乙二醇 为溶剂， 反应 14.0h， 生成 2,2'-dithiobis(3-pyridinecarbonyl chloride)
  参考文献：
  名称：

  New 5-Substituted Derivatives of Ethyl 2,3-Dihydro-3-oxoisothiazolo[5,4-b]pyridine-2-acetate

  摘要：

  New series of ethyl 5-substituted 2,3-dihydro-3-oxoisothiazolo[5,4-b] pyridine-2-acetate was prepared either a) directly by reaction of 5-substituted 2-chlorothio-3-pyridinecarbonyl chlorides with ethyl glycinate or b) by oxidation of the correspondent 2-mercapto-3-pyridinecarboxamides. New 5-substituted 1,2-dihydro-2-thioxo-3-pyridinecarboxylic acids as starting materials are described.

  DOI：

  10.3987/com-93-6556
• 作为产物：
  描述：

  1,2-二氢-2-氧代-5-苯基-3-吡啶羧酸 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 、 氯苯 为溶剂， 反应 2.0h， 以67%的产率得到2-氯-5-苯基烟酸
  参考文献：
  名称：

  Monge; Martinez-Merino; Simon, Arzneimittel-Forschung/Drug Research, 1995, vol. 45, # 3, p. 306 - 310

  摘要：

  DOI：

文献信息

• Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur
  申请人：A. H. Robins Company, Inc.

  公开号：US04705853A1

  公开（公告）日：1987-11-10

  Aromatic azepinones and thiones having the formula ##STR1## wherein; A is benzene, naphthalene, quinoline or pyridine; B is oxygen or sulfur; E is oxygen, sulfur or ##STR2## n is 1, 2 or 3; Z is an amino or a heterocyclic nitrogen-containing radical; R is hydrogen, loweralkyl, cycloalkyl or phenylloweralkyl; Y is halo, loweralkyl, loweralkoxy, diloweralkylamino, nitro, amino, loweracetylamino, trifluoromethyl, phenyl or phenyl substituted by one to three Y' radicals selected from halo, loweralkyl, loweralkoxy, diloweralkylamino, nitro, amino, loweracylamino or trifluoromethyl; and having antihistaminic utility, a process for the preparation thereof and chemical intermediates therefor are disclosed.

  芳香族氮杂七元酮和硫醚的化学式为##STR1##其中；A为苯、萘、喹啉或吡啶；B为氧或硫；E为氧、硫或##STR2##n为1、2或3；Z为氨基或含氮杂环的基团；R为氢、较低烷基、环烷基或苯基较低烷基；Y为卤素、较低烷基、较低烷氧基、二较低烷基氨基、硝基、氨基、较低乙酰氨基、三氟甲基、苯基或被从卤素、较低烷基、较低烷氧基、二较低烷基氨基、硝基、氨基、较低酰胺基或三氟甲基中选择的一个至三个Y'基团取代的苯基；具有抗组胺作用，公开了其制备方法和化学中间体。
• Benzo- and pyrido-1,4-oxazepin-5-ones and -thiones: synthesis and structure-activity relationships of a new series of H1-antihistamines
  作者：Albert D. Cale、Thomas W. Gero、Kathleen R. Walker、Young S. Lo、William J. Welstead、Larry W. Jaques、Ashby F. Johnson、Charles A. Leonard、Joseph C. Nolan、David N. Johnson

  DOI：10.1021/jm00129a026

  日期：1989.9

  A series of novel benzo- and pyrido-1,4-oxazepinones and -thiones which represents a new structural class of compounds possessing H1 antihistaminic activity was synthesized, and the SARs were evaluated. The antihistaminic activity was determined by blockade of histamine-induced lethality in guinea pigs. The sedative potential was determined by comparison of the EEG profiles of the compounds with those of known sedating and nonsedating antihistamines. Several of the compounds were shown to possess potent H1 antihistaminic activity and to be free of the cortical slowing with synchronized waves and spindling activity found in the EEG of sedative antihistamines. One compound, 2-[2-(dimethylamino)ethyl]-3,4-dihydro-4-methylpyrido[3,2-f]-1,4- oxazepine-5(2H)-thione (rocastine) is currently undergoing clinical evaluation as a nonsedating H1 antihistamine.
• CALE, ALBERT D. (JR)
  作者：CALE, ALBERT D. (JR)

  DOI：——

  日期：——
• US4705853A
  申请人：——

  公开号：US4705853A

  公开（公告）日：1987-11-10
• US4812565A
  申请人：——

  公开号：US4812565A

  公开（公告）日：1989-03-14