1-氨基-3-(4-氯苯氧基)-2-丙醇 | 5215-07-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-氨基-3-(4-氯苯氧基)-2-丙醇
• 中文别名: 乙基α-乙酰环戊酸酯
• 英文名称: 1-amino-3-(4-chloro-phenoxy)-propan-2-ol
• 英文别名: 1-Amino-3-(4-chlor-phenoxy)-propan-2-ol；(+)-3-(4-chlorophenoxy)-2R-hydroxypropylamine；(-)-3-(4-chlorophenoxy)-2S-hydroxypropylamine；1-amino-3-(4-chloro-phenoxy)-propane-2-ol；3-amino-1-(4-chlorophenoxy)-propan-2-ol；3-amino-1-(4-chlorophenoxy)propan-2-ol；1-amino-3-(4-chlorophenoxy)propan-2-ol
• CAS: 5215-07-6
• 化学式: C₉H₁₂ClNO₂
• 分子量: 201.653
• InChiKey: WCTVXSRNGUMJKC-UHFFFAOYSA-N

物化性质

• 熔点：
  270 °C
• 沸点：
  363.7±32.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  1-氨基-3-(4-氯苯氧基)-2-丙醇 在 ammonium hydroxide 、 sodium hydroxide 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 N-(tert-butoxycarbonyl)-3-(4-chlorophenoxy)-2-mercaptopropylamine
  参考文献：
  名称：

  Substituted Tetrahydropyrrolo[2,1-b]oxazol-5(6H)-ones and Tetrahydropyrrolo[2,1-b]thiazol-5(6H)-ones as Hypoglycemic Agents

  摘要：

  A series of substituted tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one and tetrahydropyrrolo[2,1-b]thiazol-5(6H)-ones was synthesized from amino alcohols or amino thiols and keto acids. A pharmacological model based on the results obtained with these compounds led to the synthesis and evaluation of a series of isoxazoles and other monocyclic compounds. These were evaluated for their ability to enhance glucose utilization in cultured L6 myocytes. The in vivo hypoglycemic efficacy and potency of these compounds were evaluated in a model of type 2 diabetes mellitus (non-insulin-dependent diabetes mellitus), the ob/ob mouse. 25a(2S) (SDZ PGU 693) was selected for further pharmacological studies.

  DOI：

  10.1021/jm9803121
• 作为产物：
  描述：

  4-氯苯基缩水甘油醚 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.06h， 以93%的产率得到1-氨基-3-(4-氯苯氧基)-2-丙醇
  参考文献：
  名称：

  新型高度官能化胍的构建方法

  摘要：

  在这项研究中，我们提出了一种针对高度功能化胍的快速化学选择性方案。在氢氧化铵的存在下，通过环氧化物的区域选择性开环，在微波中构建含有羟基官能团的胍，得到伯胺，然后与异硫脲盐反应。在正丁基锂的存在下，未取代的胍与环氧化物的直接偶联得到相同的产物。

  DOI：

  10.1055/s-2004-829561

文献信息

• Heterocyclic compound having oxime group
  申请人：Yoshida Ichiro

  公开号：US20050227959A1

  公开（公告）日：2005-10-13

  The present invention provides a compound that has an excellent inhibitory activity on STAT6 activation and is effective against allergic diseases, and a medicinal composition thereof. According to the present invention, disclosed is the compound represented by the General Formula (I) [where R 1 and R 2 independently represent a C 1-6 alkyl group and the like that may have a hydrogen atom or a substituent; R 3 represents a C 1-6 alkyl group and the like that may have a substituent; R 4 and R 5 independent represents a hydrogen atom or a C 1-6 alkyl group and the like that may have a substituent; R 6 represents a hydrogen atom and the like; W represents —SO 2 — and the like; and X represents a sulphur atom and the like.]or a salt thereof, or a hydrate thereof.

  本发明提供了一种对STAT6激活具有优异抑制活性且对过敏疾病有效的化合物及其药物组合物。根据本发明，公开了由通式（I）表示的化合物[其中R1和R2独立地表示可能具有氢原子或取代基等的C1-6烷基基团；R3表示可能具有取代基的C1-6烷基基团等；R4和R5独立地表示可能具有取代基的氢原子或C1-6烷基基团等；R6表示氢原子等；W表示—SO2—等；X表示硫原子等]或其盐或水合物。
• Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders
  申请人：Gregor Vlad E.

  公开号：US20080171769A1

  公开（公告）日：2008-07-17

  Provided are compounds of the formula (I): or a stereoisomer, tautomer, salt, hydrate or prodrug thereof that modulate tyrosine kinase activity, compositions comprising the compounds and methods of their use.

  提供的是化合物的结构式(I)：或其立体异构体、互变异构体、盐、水合物或前药，这些化合物调节酪氨酸激酶活性，包括这些化合物的组合物以及它们的使用方法。
• [EN] N-ARYLOXYPROPANOLYL-N'-PHENETHYL-UREA<br/>[FR] N-ARYLOXYPROPANOLYL-N'-PHENETHYL-UREE
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2005063699A1

  公开（公告）日：2005-07-14

  The present invention provides N-aryloxypropanolyl-N’-phenethyl-urea derivatives of formula (3), method for their preparation and use thereof as potent appetite suppressants for treatment of obesity. Formula (3): wherein R is selected from the group consisting of H, 2, 3, or 4-trifluoromethyl, 2, 3, or 4-chloro, 2, 3, or 4-bromo, 4-acetyl, 4-propionyl, 4-acetamido, 2, 3 or 4 methoxy, 4 nitrile, 2, 3 or 4-methyl, and 4 formyl and X is S or O.

  本发明提供了式（3）的N-芳氧基丙酰基-N'-苯乙基脲衍生物，其制备方法以及作为治疗肥胖症的有效食欲抑制剂的用途。式（3）：其中R选自H，2，3或4-三氟甲基，2，3或4-氯，2，3或4-溴，4-乙酰基，4-丙酰基，4-乙酰胺基，2，3或4-甲氧基，4-腈基，2，3或4-甲基和4-甲酰基的群，X为S或O。
• NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA
  申请人：Bhandari Kalpana

  公开号：US20050215631A1

  公开（公告）日：2005-09-29

  The present invention provides N-aryloxypropanolyl-N′-phenethyl-urea derivatives of formula 3, method for their preparation and use thereof as potent appetite suppressants for treatment of obesity wherein R is selected from the group consisting of H, 2, 3 or 4-trifluoromethyl, 2, 3, or 4-chloro, 2, 3, or 4-bromo, 4-acetyl, 4-propionyl, 4-acetamido, 2, 3 or 4 methoxy, 4 nitrile, 2, 3 or 4-methyl, and 4 formyl and X is S or O.

  本发明提供了公式3的N-芳氧基丙酰基-N'-苯乙基脲衍生物，其制备方法以及作为治疗肥胖症的有效食欲抑制剂的用途，其中R从H，2，3或4-三氟甲基，2，3或4-氯，2，3或4-溴，4-乙酰基，4-丙酰基，4-乙酰胺基，2，3或4-甲氧基，4-腈基，2，3或4-甲基和4-甲酰基的群中选择，X为S或O。
• N-cyano-N'-pyridylguanidines as serotonin antagonists
  申请人：Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik

  公开号：US05563160A1

  公开（公告）日：1996-10-08

  The present invention relates to hitherto unknown compounds of formula or their tautomeric forms, the attachment to the pyridine ring being in the 3- or 4-position, in which R', R" are the same or different and stand for hydrogen, halogen, or trifluoromethyl, hydroxy, C.sub.1 -C.sub.4 alkyl or alkoxy, nitro, or cyano groups. Alkylene stands for a straight or branched C.sub.1 -C.sub.8 carbon chain, which may be substituted by hydroxy or halogen, nitro or cyano groups. X stands for oxygen, for --S(O).sub.n -- where n stands for an integer from 0 to 2, or for .dbd.N--R.sub.1 where R.sub.1 is hydrogen or C.sub.1 -C.sub.4 alkyl. R stands for hydrogen or for one or more C.sub.1 -C.sub.4 alkyl or alkoxy, hydroxy, halogen, trifluoromethyl, cyano, carboxamido, sulfamoyl or nitro radicals. The present compounds are of value in the human and veterinary practice as selective serotonin receptor antagonists.

  本发明涉及式或其互变异构体的迄今未知的化合物，其附着在吡啶环的3位或4位，其中R'，R"相同或不同，代表氢，卤素或三氟甲基，羟基，C.sub.1-C.sub.4烷基或烷氧基，硝基或氰基。Alkylene代表直链或支链C.sub.1-C.sub.8碳链，可以被羟基或卤素，硝基或氰基取代。X代表氧，代表--S（O）.sub.n--，其中n为0至2的整数，或代表.dbd.N--R.sub.1，其中R.sub.1为氢或C.sub.1-C.sub.4烷基。R代表氢或一个或多个C.sub.1-C.sub.4烷基或烷氧基，羟基，卤素，三氟甲基，氰基，羧酰胺基，磺酰胺基或硝基基团。这些化合物在人类和兽医实践中作为选择性5-羟色胺受体拮抗剂具有价值。