3-(hexadecyloxy)-1,2-butanediol | 97150-12-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(hexadecyloxy)-1,2-butanediol
• 英文别名: 3-hexadecyloxybutane-1,2-diol；3-hexadecoxybutane-1,2-diol
• CAS: 97150-12-4
• 化学式: C₂₀H₄₂O₃
• 分子量: 330.552
• InChiKey: IFOGBWUDRUJLAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  23
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(hexadecyloxy)-1,2-butanediol 在 吡啶 、 sodium hydride 作用下， 反应 48.0h， 生成 [(3-hexadecoxy-2-phenylmethoxybutoxy)-diphenylmethyl]benzene
  参考文献：
  名称：

  Analogs of platelet activating factor (PAF). 2. Some modifications of the glycerine backbone

  摘要：

  Racemic analogues of platelet activating factor (PAF) that contain a methylene group between the C2 and C3 carbon atoms (39) or between the C1 and C2 carbon atoms (40) have been synthesized. These compounds show reduced platelet aggregation and hypotensive activity as measured against racemic C16 PAF. Compounds in which the C1 carbon atom of PAF is substituted with one or two methyl groups (41 and 42, respectively) or the C3 carbon is substituted with a single methyl group (43) have been synthesized. Platelet aggregation and hypotensive responses produced by these compounds are significantly less than those obtained with racemic C16 PAF. None of the above compounds exhibit a separation of the platelet aggregation and hypotensive activities.

  DOI：

  10.1021/jm00147a010
• 作为产物：
  描述：

  对甲苯磺酸十六烷基酯 在 sodium hydroxide 、 sodium hydride 、 对甲苯磺酸 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 3-(hexadecyloxy)-1,2-butanediol
  参考文献：
  名称：

  Analogs of platelet activating factor (PAF). 2. Some modifications of the glycerine backbone

  摘要：

  Racemic analogues of platelet activating factor (PAF) that contain a methylene group between the C2 and C3 carbon atoms (39) or between the C1 and C2 carbon atoms (40) have been synthesized. These compounds show reduced platelet aggregation and hypotensive activity as measured against racemic C16 PAF. Compounds in which the C1 carbon atom of PAF is substituted with one or two methyl groups (41 and 42, respectively) or the C3 carbon is substituted with a single methyl group (43) have been synthesized. Platelet aggregation and hypotensive responses produced by these compounds are significantly less than those obtained with racemic C16 PAF. None of the above compounds exhibit a separation of the platelet aggregation and hypotensive activities.

  DOI：

  10.1021/jm00147a010

文献信息

• Heterocyclic glycerol derivatives and their use as anti-hypertensive
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US04962096A1

  公开（公告）日：1990-10-09

  A novel glycerol derivative which is effective to reduce blood pressure has the formula: ##STR1## wherein R.sup.1 is an alkyl group having 10-22 carbon atoms, R.sup.2 is lower acyl, benzoyl, aryl, mono-, di- or triarylalkyl, alkyl, cycloalkyl, or cycloalkylalkyl; Q is substituted or unsubstituted alkylene containing 1-4 carbon atoms, l is 0 or 1; Y is a nitrogen-containing heterocyclic group or a nitrogen-containing bridged heterocyclic group (--(Q).sub.l -- is attached to a carbon atom contained in a hetero-ring of the heterocyclic group) in which Y is the bridged heterocyclic group where l is 0; and each of R.sup.5, R.sup.6 and R.sup.7 is hydrogen, lower alkyl, aryl or aralkyl.

  一种新型的甘油衍生物，有效降低血压，其化学式为：##STR1## 其中R.sup.1是具有10-22个碳原子的烷基基团，R.sup.2是较低的酰基、苯甲酰基、芳基、单、二或三芳基烷基、烷基、环烷基或环烷基烷基；Q是取代或未取代的含有1-4个碳原子的烷基，l为0或1；Y是含氮杂环基团或含氮桥接的杂环基团（--(Q).sub.l --连接到杂环基团的杂环环中的碳原子）其中Y是杂环基团，l为0；R.sup.5、R.sup.6和R.sup.7中的每一个是氢、较低的烷基、芳基或芳基烷基。
• Antihypertensive phosphate derivatives
  申请人：American Cyanamid Company

  公开号：US04827011A1

  公开（公告）日：1989-05-02

  Antihypertensive phosphate derivatives having the following formula are described: ##STR1## wherein X is a C.sub.1 -C.sub.24 branched or straight chain alkyl group; R is selected from the group consisting of hydrogen and C.sub.1 -C.sub.4 alkyl, with the proviso that at least one R group is not hydrogen; T is selected from the group consisting of hydrogen and ##STR2## wherein R.sub.1 is selected from the group consisting of hydrogen, C.sub.1 -C.sub.4 branched or straight chain alkyl, C.sub.1 -C.sub.4 branched or straight chain alkoxy and C.sub.1 -C.sub.4 branched or straight chain alkylamino; Q is a bivalent radical selected from the group consisting of --(CH.sub.2).sub.p -- and --(CHR.sup.1).sub.p --, wherein p is an integer from 2 to 12 and the moiety --(CHR.sup.1).sub.p -- represents an alkylene chain which is substituted by one or more C.sub.1 -C.sub.10 alkyl groups or phenyl groups; Z is selected from the group consisting of ##STR3## wherein R.sub.2 may be chain alkyl and q is an integer from 4 to 7; in either the racemic or in the optically active form.

  描述具有以下公式的降压磷酸酯衍生物：其中X是C.sub.1-C.sub.24支链或直链烷基基团；R选择自氢和C.sub.1-C.sub.4烷基的群，但至少一个R基团不是氢；T选择自氢和##STR2##其中R.sub.1选择自氢、C.sub.1-C.sub.4支链或直链烷基、C.sub.1-C.sub.4支链或直链烷氧基和C.sub.1-C.sub.4支链或直链烷基氨基；Q是选择自--(CH.sub.2).sub.p--和--(CHR.sup.1).sub.p--的二价基团，其中p是从2到12的整数，而基团--(CHR.sup.1).sub.p--表示一个被一个或多个C.sub.1-C.sub.10烷基基团或苯基取代的烷基链；Z选择自##STR3##其中R.sub.2可能是链烷基，q是从4到7的整数；可以是消旋的或者是光学活性形式。
• Glycerol derivative and anti-hypertensive agent
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US05183811A1

  公开（公告）日：1993-02-02

  A novel glycerol derivative which is effective to reduce blood pressure has the formula: ##STR1## wherein R.sup.1 is an alkyl group having 10-22 carbon atoms, R.sup.2 is lower acyl, benzoyl, aryl, mono-, di- or triarylalkyl, alkyl, cycloalkyl, or cycloalkylalkyl; Q is substituted or unsubstituted alkylene containing 1-4 carbon atoms, l is 0 or 1; Y is a nitrogen-containing heterocyclic group or a nitrogen-containing bridged heterocyclic group (--(Q).sub.l -- is attached to a carbon atom contained in a hetero-ring of the heterocyclic group) in which Y is the bridged heterocyclic group where l is 0; and each of R.sup.5, R.sup.6 and R.sup.7 is hydrogen, lower alkyl, aryl or aralkyl.

  一种新型甘油衍生物，可有效降低血压，其化学式为：##STR1## 其中R1是具有10-22个碳原子的烷基基团，R2是较低的酰基，苯甲酰基，芳基，单，二或三芳基烷基，烷基，环烷基或环烷基烷基；Q是含有1-4个碳原子的取代或未取代的烷基，l为0或1；Y是含氮杂环基团或含氮桥接杂环基团（-（Q）.sub.l-连接到杂环基团的杂环中的碳原子）其中Y为桥接杂环基团，l为0；R5，R6和R7中的每一个都是氢，较低的烷基，芳基或芳基烷基。
• Detoxification of microbial virulence factors in oral cavity
  申请人：The Procter & Gamble Company

  公开号：US10156566B2

  公开（公告）日：2018-12-18

  A method for identifying constituents for detoxifying oral virulence factors and a method for determining the effectiveness of detoxifying agents.

  一种确定口腔致病因子解毒成分的方法和一种确定解毒剂有效性的方法。
• WISSNER, ALLAN;SCHAUB, ROBERT E.
  作者：WISSNER, ALLAN、SCHAUB, ROBERT E.

  DOI：——

  日期：——