3-(3-氯-1-丙基)-2-恶唑烷酮 | 10127-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-(3-氯-1-丙基)-2-恶唑烷酮
• 英文名称: 3-<3-Chlor-propyl>-2-oxazolidinon
• 英文别名: 3-(3-chloropropyl)-2-oxazolidinone；3-(3-chloro-1-propyl)-2-oxazolidinone；3-(3-chloropropyl)-1,3-oxazolidin-2-one
• CAS: 10127-86-3
• 化学式: C₆H₁₀ClNO₂
• 分子量: 163.604
• InChiKey: CFKDHZJAQJDDJW-UHFFFAOYSA-N

物化性质

• 沸点：
  156 °C(Press: 3 Torr)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-氯-1-丙基)-2-恶唑烷酮 在 氢溴酸 、 potassium carbonate 、 溶剂黄146 作用下， 反应 36.5h， 生成 N-(2-bromoethyl)-2-nitro-1H-imidazole-1-propanamine monohydrobromide
  参考文献：
  名称：

  Dual-function radiosensitizers. .alpha.-[[(2-Bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1-ethanol and related compounds: preparation via an aziridine equivalent

  摘要：

  An improved synthesis of the dual-function radiosensitizer alpha-[[2-bromoethyl)amino]methyl]-2-nitro-H-1-imidazole-1-ethanol (2, RB 6145) has been developed. Previously, the synthetic difficulties associated with this compound limited its attractiveness as a clinical candidate, although its radiosensitizing activity in preclinical models warranted its further development. The synthesis described uses a 2-oxazolidinone as an aziridine equivalent and provides 2 in 47% yield.

  DOI：

  10.1021/jm00107a047
• 作为产物：
  描述：

  (3-chloro-propyl)-carbamic acid-(2-chloro-ethyl ester) 在 sodium ethanolate 作用下， 生成 3-(3-氯-1-丙基)-2-恶唑烷酮
  参考文献：
  名称：

  Delaby et al., Annales Pharmaceutiques Francaises, 1955, vol. 13, p. 565,566

  摘要：

  DOI：

文献信息

• Dihydropyridine npy antagonists: piperazine derivatives
  申请人：Bristol-Myers Squibb Company

  公开号：US05635503A1

  公开（公告）日：1997-06-03

  A series of non-peptidergic antagonists of NPY have been synthesized and are comprised of piperazine and homopiperazine derivatives of 4-phenyl-1,4-dihydropyridines of Formula (I). ##STR1## As antagonists of NPY-induced feeding behavior, these compounds are expected to act as effective anorexiant agents in promoting weight loss and treating eating disorders.

  一系列非肽类NPY拮抗剂已经合成，由式(I)的4-苯基-1,4-二氢吡啶的哌嗪和同哌嗪衍生物组成。作为NPY诱导的进食行为的拮抗剂，预计这些化合物将作为有效的压食剂药物，促进减重和治疗进食障碍。
• Fused purine derivatives
  申请人：——

  公开号：US20030176698A1

  公开（公告）日：2003-09-18

  A condensed purine derivative represented by Formula (I): 1 wherein X—Y—Z represents R 1 N—C═O or N═C—W, R 2 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted aromatic heterocyclic group, a substituted or unsubstituted alicyclic heterocyclic group or the like, n represents an integer of from 0 to 3, V 1 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aromatic heterocyclic group, V 2 represents a substituted lower alkyl group or a substituted or unsubstituted aromatic heterocyclic group, and when V 1 represents a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group, and for example, X—Y—Z represents R 1a N—C═O and R 2 represents a substituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted alicyclic heterocyclic group, a halogen atom, a lower alkylthio group, —NR 7 R 8 , —CO 2 H, a lower alkoxycarbonyl group, —COHal, —CONR 9 R 10 or —CHO, V 2 may represent a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group; or a pharmacologically acceptable salt thereof.

  一个由公式(I)表示的浓缩嘌呤衍生物：1 其中，X—Y—Z代表R1N—C═O或N═C—W，R2代表氢原子、取代或未取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的芳基团、取代或未取代的芳香杂环团、取代或未取代的脂肪杂环团等，n代表从0到3的整数，V1代表氢原子、取代或未取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的芳基团或取代或未取代的芳香杂环团，V2代表取代的低级烷基团或取代或未取代的芳香杂环团，并且当V1代表氢原子、低级烷基团、取代或未取代的芳烷基团或取代或未取代的芳基团时，例如，X—Y—Z代表R1aN—C═O并且R2代表取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的脂肪杂环团、卤素原子、低级烷基亚硫酰基团、—NR7R8、—CO2H、低级烷氧羰基团、—COHal、—CONR9R10或—CHO，V2可以代表低级烷基团、取代或未取代的芳烷基团或取代或未取代的芳基团；或其药理可接受的盐。
• Antihypertensive activity in a series of 1-piperazino-3-phenylindans with potent 5-HT2-antagonistic activity
  作者：Klaus P. Boegesoe、Joern Arnt、Vita Boeck、A. Vibeke Christensen、John Hyttel、Klaus Gundertofte Jensen

  DOI：10.1021/jm00120a003

  日期：1988.12

  enantiomers with 1R,3S absolute configuration. 1S,3R enantiomers inhibited the uptake of dopamine and norepinephrine in vitro. The compound with the best antihypertensive activity was (+)-(1R,3S)-1-[2-[4-[3-(4-fluorophenyl)-1-indanyl]-1- piperazinyl]ethyl]-2-imidazolidinone (Lu 21-098, irindalone). Its pharmacological profile resembled that of the standard compound ketanserin. There was a close structural

  合成了一系列反式-1-哌嗪子-3-苯基茚满，其目的是用周围的5-羟基色胺（5-HT2）拮抗作用来取代它们建立的抗精神病药。在茚满环中具有未取代或氟取代的6-位并且具有通过乙烯链连接至哌嗪环的五元或六元杂环的化合物，满足了该目的。一些化合物在有意识的，自发性高血压大鼠（SHR）中具有有效的降压活性。在成髓大鼠中，它们拮抗5-HT诱导的升压作用，其剂量比拮抗去氧肾上腺素的升压作用所需的剂量低100-1000倍。该作用是立体选择性的，并且与具有1R，3S绝对构型的对映异构体有关。1S，3R对映体在体外抑制多巴胺和去甲肾上腺素的摄取。降压活性最好的化合物是（+）-（1R，3S）-1- [2- [4- [3-（4-氟苯基）-1-茚满基] -1-哌嗪基]乙基] -2-咪唑啉酮（Lu 21-098，irindalone）。它的药理特性与标准化合物酮色林相似。酮色林和伊立酮之间存在紧密的结构对应关系，这种
• Dibenzo [b,f]thiepins bearing piperazinyl substitution
  申请人：Hoffmann-la Roche Inc.

  公开号：US03954764A1

  公开（公告）日：1976-05-04

  Compounds of the formulas ##SPC1## Wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, m and n and X are as hereinafter set forth, Are described. The compounds of formulas I and Ia are useful as neuroleptic agents.

  化合物的公式如下：##SPC1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、m、n和X如下所述。公式I和Ia的化合物可用作神经阻滞剂。
• Hydroxy derivatives of S-2-(3-aminopropylamino)ethyl dihydrogen phosphorothioate and related compounds as antiradiation agents
  作者：James R. Piper、Lucy M. Rose、Thomas P. Johnston、Marie M. Grenan

  DOI：10.1021/jm00242a009

  日期：1975.8

  A number of such compounds were synthesized, including S-3-(3-aminopropylamino)-2-hydroxypropyl dihydrogen phosphorothioate (11, n equals 3), S-2-(3-amino-2-hydroxypropylamino)ethyl dihydrogen phosphorothioate (20) and its propyl homolog 26, N,N'-(2-hydroxytrimethylene)bis(S-2-aminoethyl dihydrogen phosphorothioate) (40), S-2-[3-(2-hydroxyethylamino)propylaminoi1ethyl dihydrogen phosphorothioate (44)

  3-氨基-2-羟丙基氢硫代磷酸氢钠的高抗辐射活性和低毒性提示将羟基引入其他类型的辐射防护硫代磷酸酯中。合成了许多这样的化合物，包括S-3-（3-氨基丙基氨基）-2-羟丙基二氢硫代磷酸酯（11，n等于3），S-2-（3-氨基-2-羟丙基氨基）乙基二氢硫代磷酸酯（20 ）及其丙基同系物26，N，N'-（2-羟基三亚甲基）双（S-2-氨基乙基二氢硫代磷酸酯）（40），S-2- [3-（2-羟基乙基氨基）丙基氨基·乙基二氢硫代磷酸酯（44），和S-2-氨基-2-（羟甲基）-3-羟丙基硫代磷酸氢钠（49）。化合物11（n等于3），20、26，当腹膜内给药时，49和49是高度保护性的，但口服制备的其他羟基化硫代磷酸酯通常无效。羟基的引入显着增强了非羟基化母体化合物的辐射防护性能，但是，仅在腹膜内给药的情况下。