1-ethoxypropanol | 96686-55-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-ethoxypropanol
• 英文别名: ethoxypropanol；diethyl ether-methanol；ethyl ether-methanol；1-ethoxypropan-1-ol
• CAS: 96686-55-4
• 化学式: C₅H₁₂O₂
• 分子量: 104.149
• InChiKey: JLBXCKSMESLGTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  129.6±8.0 °C(Predicted)
• 密度：
  0.903±0.06 g/cm3(Predicted)
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethoxypropanol 在 肼 作用下， 以 乙醚 、 乙醇 、 正己烷 为溶剂， 反应 15.0h， 生成 1-propylidene-4-(1-ethoxypropyl)thiosemicarbazide
  参考文献：
  名称：

  A Convenient One-Pot Synthesis of α-Isothiocyanatoethers and Unusual Course of Some of Its Nucleophilic Displacement Reactions

  摘要：

  已经开发了一种简单的新方法，通过PO(NCS)3或(PhO)2PONCS与醛和醇的等摩尔混合物反应，在良好产率下制备α-异硫氰酸醚1a-1f。描述了甲醇、胺类和联氮对1a-1f的亲核加成过程。

  DOI：

  10.1135/cccc19971491
• 作为产物：
  描述：

  乙醇 、 丙醛 反应 1.0h， 生成 1-ethoxypropanol
  参考文献：
  名称：

  A Convenient One-Pot Synthesis of α-Isothiocyanatoethers and Unusual Course of Some of Its Nucleophilic Displacement Reactions

  摘要：

  已经开发了一种简单的新方法，通过PO(NCS)3或(PhO)2PONCS与醛和醇的等摩尔混合物反应，在良好产率下制备α-异硫氰酸醚1a-1f。描述了甲醇、胺类和联氮对1a-1f的亲核加成过程。

  DOI：

  10.1135/cccc19971491
• 作为试剂：
  描述：

  benzyloxycarbonylbromomethylenetriphenylphosphorane 在 1-ethoxypropanol 、 苯甲酸 作用下， 以 苯 为溶剂， 反应 3.5h， 生成 benzyl 2-bromocyclopropylideneacetate 、 2-溴乙酸苄酯
  参考文献：
  名称：

  Osborne, Neal F., Journal of the Chemical Society. Perkin transactions I, 1982, p. 1435 - 1440

  摘要：

  DOI：

文献信息

• Studies on antitumor agents. VII. Antitumor activities of O-alkoxyalkyl derivatives of 2'-deoxy-5-trifluoromethyluridine.
  作者：JUN-ICHI YAMASHITA、SETSUO TAKEDA、HIROSHI MATSUMOTO、NORIO UNEMI、MITSUGI YASUMOTO

  DOI：10.1248/cpb.35.2373

  日期：——

  Various O-alkoxyalkyl derivatives of 2'-deoxy-5-trifluoromethyluridine (F3Thd) were synthesized, and the antitumor activities of the compounds against sarcoma 180 were examined by oral administration to mice. Among the formal-type derivatives, 3', 5'-di-O-ethoxymethyl (3), 3', 5'-di-O-benzyloxymethyl (12), 5'-O-benzyloxymethyl (13) and 3'-O-benzyloxymethyl (14) compounds showed high activities, which were six-fold higher than that of F3Thd itself. Since acetal-type derivatives were unstable under acidic conditions, antitumor testing of the compounds was also carried out with co-administration of sodium bicarbonate. 5'-O- (1-Ethoxypropyl) -F3Thd (25) and 5'-O- (1-benzyloxypropyl) -F3Thd (37) showed the highest activities among the acetal-type derivatives, but the ED50 values of the compounds were not lower than those of effective formal-type compounds. These O-alkoxyalkyl derivatives of F3Thd are resistant to degradation by thymidine phosphorylase and are activated by microsomal drug-metabolizing enzymes after absorption.

  合成了2'-脱氧-5-三氟甲基尿苷(F3Thd)的各种O-烷氧基烷基衍生物，并通过口服给小鼠的方式检测了这些化合物对肉瘤180的抗肿瘤活性。在甲缩醛型衍生物中，3',5'-二-O-乙氧基甲基(3)、3',5'-二-O-苄氧基甲基(12)、5'-O-苄氧基甲基(13)和3'-O-苄氧基甲基(14)化合物显示出高活性，其活性是F3Thd本身的六倍。由于乙缩醛型衍生物在酸性条件下不稳定，还进行了与碳酸氢钠联合给药的抗肿瘤测试。在乙缩醛型衍生物中，5'-O-(1-乙氧基丙基)-F3Thd(25)和5'-O-(1-苄氧基丙基)-F3Thd(37)显示出最高的活性，但其ED50值不低于有效的甲缩醛型化合物。这些F3Thd的O-烷氧基烷基衍生物对胸苷磷酸化酶的降解有抵抗力，在吸收后被微粒体药物代谢酶活化。
• Branched amides of L-aspartyl-D-amino acid dipeptides
  申请人：Pfizer Inc.

  公开号：US04454328A1

  公开（公告）日：1984-06-12

  Amides of L-aspartyl-D-amino acid dipeptides of the formula ##STR1## and physiologically acceptable cationic and acid addition salts thereof wherein R.sup.a is CH.sub.2 OH or CH.sub.2 OCH.sub.3 ; R is a branched member selected from the group consisting of fenchyl, diisopropylcarbinyl, d-methyl-t-butylcarbinyl, d-ethyl-t-butylcarbinyl, di-t-butylcarbinyl, 2-methylthio-2,4-dimethylpentan-3-yl, ##STR2## where at least one of R.sup.3, R.sup.4, R.sup.5, R.sup.6 is alkyl having from one to four carbon atoms and the remainder are hydrogen or alkyl having from one to four carbon atoms, X is O, S, SO, SO.sub.2, C.dbd.O or CHOH; m is zero or 1-4, n and p are each zero, 1, 2 or 3 where the sum of n+p is not greater than 3 and the sum of the carbon atoms in R.sup.3, R.sup.4, R.sup.5 and R.sup.6 is not greater than six, and when both of R.sup.3 and R.sup.4 or R.sup.5 and R.sup.6 are alkyl they are methyl or ethyl, ##STR3## where one of R.sup.7, R.sup.8, R.sup.9 is alkyl having from one to four carbon atoms and the remainder are hydrogen or alkyl having from one to four carbon atoms and the sum of the carbon atoms in R.sup.7, R.sup.8 and R.sup.9 is not greater than six, m and q are the same or different and each have the values previously defined for m; ##STR4## where each of R.sup.12 and R.sup.13 are methyl or ethyl, or R.sup.12 is hydrogen and R.sup.13 is alkyl having from one to four carbon atoms, Z is O or NH and t is 1 or 2, ##STR5## where W is 1-4, R.sup.14 and R.sup.16 are each alkyl having from one to four carbon atoms, R.sup.15 is H, OH, methyl or ethyl and the sum of the carbon atoms in R.sup.14, R.sup.15 and R.sup.16 is not greater than six and when both of R.sup.14 and R.sup.15 are alkyl they are methyl or ethyl, and ##STR6## where R.sup.17 and R.sup.19 are alkyl having from one to four carbon atoms, R.sup.18 and R.sup.20 are H or alkyl having one to two carbon atoms, A is OH and B is H, OH or CH.sub.3 and taken together A and B are ##STR7## where the sum of the carbon atoms in R.sup.17, R.sup.18, R.sup.19 and R.sup.20 is not greater than six and when both of R.sup.17 and R.sup.18 or R.sup.19 and R.sup.20 are alkyl they are methyl or ethyl; said amides are potent sweeteners having advantages over the prior art, edible compositions containing them, methods for their use in edible compositions and novel amide intermediates useful in their production.

  L-天冬氨酸-D-氨基酸二肽的酰胺，其化学式为##STR1##及其生理上可接受的阳离子和酸盐，其中R.sup.a为CH.sub.2 OH或CH.sub.2 OCH.sub.3；R为从茴香基、二异丙基甲基、d-甲基-t-叔丁基甲基、d-乙基-t-叔丁基甲基、二-t-叔丁基甲基、2-甲硫基-2,4-二甲基戊烷-3-基，##STR2##中选择的支链成员，其中R.sup.3、R.sup.4、R.sup.5、R.sup.6中至少有一个是具有一到四个碳原子的烷基，其余为氢或具有一到四个碳原子的烷基，X为O、S、SO、SO.sub.2、C.dbd.O或CHOH；m为零或1-4，n和p分别为零、1、2或3，其中n+p的总和不大于3，R.sup.3、R.sup.4、R.sup.5和R.sup.6中的碳原子总和不大于六，当R.sup.3和R.sup.4或R.sup.5和R.sup.6中的两个均为烷基时，它们为甲基或乙基，##STR3##其中R.sup.7、R.sup.8、R.sup.9中的一个是具有一到四个碳原子的烷基，其余为氢或具有一到四个碳原子的烷基，R.sup.7、R.sup.8和R.sup.9中的碳原子总和不大于六，m和q相同或不同，且具有先前定义的m的值；##STR4##其中R.sup.12和R.sup.13中的每一个均为甲基或乙基，或R.sup.12为氢且R.sup.13为具有一到四个碳原子的烷基，Z为O或NH，t为1或2，##STR5##其中W为1-4，R.sup.14和R.sup.16均为具有一到四个碳原子的烷基，R.sup.15为H、OH、甲基或乙基，R.sup.14、R.sup.15和R.sup.16中的碳原子总和不大于六，当R.sup.14和R.sup.15均为烷基时，它们为甲基或乙基，以及##STR6##其中R.sup.17和R.sup.19为具有一到四个碳原子的烷基，R.sup.18和R.sup.20为H或具有一到二个碳原子的烷基，A为OH，B为H、OH或CH.sub.3，A和B一起为##STR7##其中R.sup.17、R.sup.18、R.sup.19和R.sup.20中的碳原子总和不大于六，当R.sup.17和R.sup.18或R.sup.19和R.sup.20中的两个均为烷基时，它们为甲基或乙基；所述酰胺是具有优于先前技术的优点的强甜味剂，包含它们的可食用组合物，其在可食用组合物中的使用方法以及在其生产中有用的新型酰胺中间体。
• A Convenient One-Pot Synthesis of α-Isothiocyanatoethers and Unusual Course of Some of Its Nucleophilic Displacement Reactions
  作者：Juraj Bernát、Pavol Kristian、Jana Guspanová、Ján Imrich、Tatiana Bušová

  DOI：10.1135/cccc19971491

  日期：——

  A simple new method has been devised for the preparation of α-isothiocyanatoethers 1a-1f in good yields by reaction of PO(NCS)₃ or (PhO)₂PONCS with an equimolar mixture of aldehydes and alcohols. The course of nucleophilic additions of methanol, amines and hydrazine to 1a-1f is described.

  已经开发了一种简单的新方法，通过PO(NCS)3或(PhO)2PONCS与醛和醇的等摩尔混合物反应，在良好产率下制备α-异硫氰酸醚1a-1f。描述了甲醇、胺类和联氮对1a-1f的亲核加成过程。