2-丁氧基-苯胺 | 4469-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-丁氧基-苯胺
• 中文别名: 2-丁氧基苯胺
• 英文名称: 2-butoxyaniline
• 英文别名: 2-Butyloxy-anilin；o-butoxyaniline
• CAS: 4469-81-2
• 化学式: C₁₀H₁₅NO
• mdl: MFCD00043880
• 分子量: 165.235
• InChiKey: IRTONKUCLPTRNS-UHFFFAOYSA-N

物化性质

• 沸点：
  129 °C(Press: 11 Torr)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922199090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2-丁氧基-苯胺 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 4.17h， 生成 1-(2-Butoxy-phenyl)-3-((1R,3R,5S)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-urea
  参考文献：
  名称：

  5-Hydroxytryptamine (5-HT3) receptor antagonists. 3. Ortho-substituted phenylureas

  摘要：

  A novel series of potent 5-HT3 receptor antagonists, ortho-substituted phenylureas 6a-z, is described in which the 5-membered ring of the previously reported indazoles and indolines has been replaced by an intramolecular hydrogen bond. High potency was found both for carbamate 6a and urea 6b. Granatane 6c was less potent than the equivalent tropane. Phenylurea 11c lacking the ortho substituent was inactive. Whereas further substitution could not be tolerated in the aromatic ring, activity was retained with a range of O-alkyl groups, compounds 6k-t. In addition, good activity was found for ortho ester 6u and sulfonamide 6x. The ortho-substituted phenylureas can therefore be regarded as bioisosteres of the 6,5-heterocycles indole, indazole, and indoline.

  DOI：

  10.1021/jm00169a018
• 作为产物：
  描述：

  Carbamic acid, (2-butoxyphenyl)-, 2-(4-morpholinyl)ethyl ester 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 生成 2-丁氧基-苯胺
  参考文献：
  名称：

  Stankovicova; Bachrata; Cizmarik, Pharmazie, 1993, vol. 48, # 7, p. 547 - 548

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Studies on antiallergy agents. III. Synthesis of 2-anilino-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acids and related compounds.
  作者：Kohji OZEKI、Teru ICHIKAWA、Hiroyuki TAKEHARA、Kenjiro TANIMURA、Makoto SATO、Hideya YAGINUMA

  DOI：10.1248/cpb.37.1780

  日期：——

  A series of 2-anilino-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acids with various substituents was synthesized and evaluated in the rat passive cutaneous anaphylaxis test for antiallergic activity. High activity by intraperitoneal and oral administrations was observed for the 3-trifluoromethyl and 2-alkoxyanilino derivatives (64, 79, 81, 82 and 85). Structure-activity relationships are discussed.

  合成了一系列具有各种取代基的2-苯胺基-1,6-二氢-6-氧代-5-嘧啶羧酸，并在大鼠被动皮肤过敏反应试验中评估了其抗过敏活性。对于3-三氟甲基和2-烷氧基苯胺基衍生物（64、79、81、82和85），观察到腹膜内和口服给药具有高活性。讨论了构效关系。
• Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase
  申请人：Forum Pharmaceuticals, Inc.

  公开号：US20170000749A1

  公开（公告）日：2017-01-05

  This disclosure relates to compounds for the inhibition of histone deacetylase and treatment of a cognitive disorder or deficit. More particularly, the disclosure provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  这份披露涉及用于抑制组蛋白去乙酰化酶和治疗认知障碍或缺陷的化合物。更具体地，该披露提供了公式（I）的化合物 其中 Q、J、L和Z如规范中所定义。
• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS DE L'HISTONE DÉSACÉTYLASE
  申请人：ENVIVO PHARMACEUTICALS INC

  公开号：WO2009137499A1

  公开（公告）日：2009-11-12

  Compounds which are histone deacetylase inhibitors and their use in treating various disorders, including Alzheimer's Disease.

  组合物是组蛋白去乙酰化酶抑制剂，用于治疗各种疾病，包括阿尔茨海默病。
• (2-Fluoroallyl)pyridinium tetrafluoroborates: novel fluorinated electrophiles for Pd-catalyzed allylic substitution
  作者：Angelina Yu. Bobrova、Maxim A. Novikov、Yury V. Tomilov

  DOI：10.1039/d1ob00567g

  日期：——

  An efficient two-step approach to 2-fluoroallyl amines was developed that involves the synthesis of (2-fluoroallyl)pyridinium tetrafluoroborates from readily available gem-bromofluorocyclopropanes and the application of the former as novel and stable 2-fluoroallyl electrophiles for Pd-catalyzed allylic substitution.

  开发了一种有效的两步法制备 2-氟代烯丙基胺，包括从容易获得的偕溴氟环丙烷合成 (2-氟代烯丙基)吡啶鎓四氟硼酸盐，并将前者作为新型稳定的 2-氟代烯丙基亲电子试剂用于 Pd 催化的烯丙基替代。

表征谱图