(R)-3-<<4-(benzyloxy)phenyl>amino>-1,2-propanediol | 130641-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (R)-3-<<4-(benzyloxy)phenyl>amino>-1,2-propanediol
• 英文别名: (R)-3-{[4-(benzyloxy)phenyl]amino}-1,2-propanediol；(2R)-3-(4-phenylmethoxyanilino)propane-1,2-diol
• CAS: 130641-80-4
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.332
• InChiKey: PTVDPONOUBBLRI-OAHLLOKOSA-N

物化性质

• 沸点：
  512.0±50.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-3-<<4-(benzyloxy)phenyl>amino>-1,2-propanediol 在 palladium on activated charcoal 氢气 、 sodium methylate 作用下， 以 甲醇 、 乙酸乙酯 、 甲苯 为溶剂， 100.0 ℃ 、101.33 kPa 条件下， 反应 5.0h， 生成 5-(羟基甲基)-3-(4-羟基苯基)-1,3-恶唑烷-2-酮
  参考文献：
  名称：

  Gates, Kent S.; Silverman, Richard B., Journal of the American Chemical Society, 1990, vol. 112, # 25, p. 9364 - 9372

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苄氧基苯胺 、 (R)-缩水甘油 以 乙醇 为溶剂， 以42%的产率得到(R)-3-<<4-(benzyloxy)phenyl>amino>-1,2-propanediol
  参考文献：
  名称：

  Gates, Kent S.; Silverman, Richard B., Journal of the American Chemical Society, 1990, vol. 112, # 25, p. 9364 - 9372

  摘要：

  DOI：

文献信息

• Optically active fluorine-containing 3-hydroxybutyric acid esters and
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：US05118836A1

  公开（公告）日：1992-06-02

  An optically active (3R)- or (3S)-fluorine-containing-3-hydroxybutyric acid ester represented by the formula: ##STR1## wherein R represents an alkyl group of C.sub.3 -C.sub.16 and A represents CF.sub.3, CHF.sub.2 or CH.sub.2 F, which is useful for synthesis of optically active substances, is prepared with high optical purity by ester exchange reaction between an alcohol represented by the formula: ROH wherein R is as defined above and optically active (3R)- or (3S)-fluorine-containing-3-hydroxybutyric acid ethyl ester of ##STR2## in the presence of an ammonium salt of sulfonic acid.

  一种具有光学活性的(3R)或(3S)-含氟-3-羟基丁酸酯，其化学式为：##STR1## 其中R表示C.sub.3-C.sub.16的烷基，A表示CF.sub.3、CHF.sub.2或CH.sub.2F。该酯可用于合成光学活性物质，并通过在磺酸铵盐存在下，使ROH（其中R如上所定义）和(3R)或(3S)-含氟-3-羟基丁酸乙酯##STR2##之间进行酯交换反应，高光学纯度地制备。
• 3-Aryloxazolidinone derivatives, process for their preparation and their
  申请人：Delalande S.A.

  公开号：US05036090A1

  公开（公告）日：1991-07-30

  The derivatives of the formula: ##STR1## wherein: R.sub.1 is H or C.sub.1 -C.sub.4 alkyl; X is an oxygen atom, a methylene group or a --CH.dbd.CH-- group; n is 1 or 2 when X is an oxygen atom or a methylene group and is 0 or 1 when X is a --CH.dbd.CH-- group; R.sub.3 is a C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.7 cycloalkyl, phenyl, benzyl, CHF.sub.2, CF.sub.3 or CF.sub.3 CF.sub.2 group; each of R.sub.2 and R'.sub.2 independently is a hydrogen atom or a C.sub.1 -C.sub.4 alkyl, C.sub.4 -C.sub.7 cycloalkyl, phenyl or benzyl group; R'.sub.2 and R.sub.3 may further form together a --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 -- chain; and each of R.sub.4 and R'.sub.4 independently is a C.sub.1 -C.sub.4 alkyl group or R.sub.4 and R'.sub.4 form together either a --(CH.sub.2).sub.2 -- or --(CH.sub.2).sub.3 -- chain, a --(CH.sub.2).sub.2 -- or --(CH.sub.2).sub.3 -- chain substituted by one or two C.sub.1 -C.sub.4 alkyl groups, or a --(CH.sub.2).sub.2 -- chain substituted by one or two --CH.sub.2 --NH.sub.2 groups or by one or two --CH.sub.2 --NH.sub.2 groups N-substituted by one or two C.sub.1 -C.sub.4 alkyl groups, useful as drugs.

  该公式的导数为：##STR1## 其中：R.sub.1为H或C.sub.1-C.sub.4烷基；X为氧原子，亚甲基或--CH.dbd.CH--基团；当X为氧原子或亚甲基时，n为1或2，当X为--CH.dbd.CH--基团时，n为0或1；R.sub.3为C.sub.1-C.sub.4烷基，C.sub.3-C.sub.7环烷基，苯基，苄基，CHF.sub.2，CF.sub.3或CF.sub.3CF.sub.2基团；R.sub.2和R'.sub.2各自独立地为氢原子或C.sub.1-C.sub.4烷基，C.sub.4-C.sub.7环烷基，苯基或苄基；R'.sub.2和R.sub.3还可以共同形成--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--链；R.sub.4和R'.sub.4各自独立地为C.sub.1-C.sub.4烷基，或R.sub.4和R'.sub.4共同形成--(CH.sub.2).sub.2--或--(CH.sub.2).sub.3--链，一种--(CH.sub.2).sub.2--或--(CH.sub.2).sub.3--链被一或两个C.sub.1-C.sub.4烷基取代，或者一种--(CH.sub.2).sub.2--链被一或两个--CH.sub.2--NH.sub.2基团或一或两个--CH.sub.2--NH.sub.2基团N取代的C.sub.1-C.sub.4烷基取代，可用作药物。
• 3-aryl oxazolidinone compounds and therapeutic use thereof
  申请人：Delalande S.A.

  公开号：US05264443A1

  公开（公告）日：1993-11-23

  Derivatives having the formula: ##STR1## where R.sub.1 denotes C.sub.1 -C.sub.4 alkyl; X denotes oxygen or methylene; R.sub.2 denotes C.sub.1 -C.sub.4 alkyl or CF.sub.3 ; R.sub.3 denotes a CH.sub.2 R.sub.4 group in which R.sub.4 is (i) a pentagonal or hexagonal aromatic heterocyclic group comprising one or two nitrogen atoms and optionally fused with a benzene ring or (ii) a group having the formula ##STR2## where n=0 or 1, and R.sub.5 and R.sub.6 independently denote C.sub.1 -C.sub.4 alkyl or benzyl, and R.sub.5 and R.sub.6 also, together with the nitrogen atom to which they are bonded, form a piperidino or pyrrolidino or morpholino or N-methyl piperazino radical, and their N-oxide forms and acid addition salts of these derivatives and their N-oxide forms, the derivatives being in various stereoisomeric forms or in the form of a mixture of these forms, including the racemic form.

  具有以下式子的衍生物：##STR1## 其中R.sub.1表示C.sub.1-C.sub.4烷基；X表示氧或亚甲基；R.sub.2表示C.sub.1-C.sub.4烷基或CF.sub.3；R.sub.3表示一个CH.sub.2R.sub.4基团，其中R.sub.4是（i）一个五角形或六角形芳香杂环基团，包含一个或两个氮原子，并且可以与苯环融合，或（ii）具有以下式子的基团##STR2## 其中n=0或1，R.sub.5和R.sub.6独立地表示C.sub.1-C.sub.4烷基或苄基，R.sub.5和R.sub.6也可以与它们连接的氮原子一起形成哌啶基、吡咯烷基、吗啉基或N-甲基哌嗪基团，以及这些衍生物和它们的N-氧化物形式的酸加成盐，这些衍生物以各种立体异构体形式存在，或以这些形式的混合物形式存在，包括外消旋形式。
• US5036091A
  申请人：——

  公开号：US5036091A

  公开（公告）日：1991-07-30
• US5036090A
  申请人：——

  公开号：US5036090A

  公开（公告）日：1991-07-30