5-diethylaminomethyl-2-methoxy-benzyl alcohol | 408330-84-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-diethylaminomethyl-2-methoxy-benzyl alcohol
• 英文别名: 5-Diaethylaminomethyl-2-methoxy-benzylalkohol；2-Methoxy-5-(diethylaminomethyl)benzyl alcohol；[5-(Diethylaminomethyl)-2-methoxyphenyl]methanol
• CAS: 408330-84-7
• 化学式: C₁₃H₂₁NO₂
• 分子量: 223.315
• InChiKey: QPSRWQQSODLCIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-diethylaminomethyl-2-methoxy-benzyl alcohol 在 氯化亚砜 作用下， 生成 2-(2-methoxy-5-(diethylaminomethyl)benzylthio)ethylamine 、 氯化苄
  参考文献：
  名称：

  Phenyl alkylaminopyrimidones

  摘要：

  这些化合物是苯基烷基氨基嘧啶酮，它们是组胺H.sub.2 -拮抗剂。本发明的一个具体化合物是2-[2-[3-(二甲氨基甲基)苄基硫基]乙氨基]-5-(6-甲基-3-吡啶甲基)-4-嘧啶酮。

  公开号：

  US04496567A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium amalgam 、 乙醇 、 溶剂黄146 作用下， 生成 5-diethylaminomethyl-2-methoxy-benzyl alcohol
  参考文献：
  名称：

  Determination of Macronutrients, by Chemical Analysis, of Home-Prepared Milk Feeding Bottles and their Contribution to the Energy and Protein Requirements of Infants from High and Low Socioeconomic Classes

  摘要：

  Objectives: To determine the macronutrients composition of home-prepared milk feeding bottles, by chemical analysis, and assess their contribution to the energy and protein requirements of children under two years of age from high (HSE) and low (LSE) socioeconomic classes.Methods: 72 samples were analyzed for energy density and protein, fat and carbohydrate content: 41 from the LSE group and 31 from the HSE group. The assessment of the percentages of the energy and protein requirements met by the consumption of the milk bottles was calculated as follows: the energy and protein per 100 mL obtained through chemical analysis were multiplied by the volume consumed at each feeding, then by the number of feedings per day, the results divided by the energy and protein requirements and multiplied by 100. Energy and protein requirements were those recommended by the FAO/WHO/UNU Committee and the Food and Nutrition Board. The children's weight-for-age index was assessed.Results: Unmodified cow's milk was largely consumed by both groups. The addition of sugar and other ingredients to the milk was significantly higher in the LSE group. Moisture, protein and fat content were lower in the LSE group. whereas carbohydrate and energy content were higher. The percentages of energy and protein requirements provided by feeding bottles were higher in the LSE group. Children in the LSE group had lower z-scores for weight-for-age.Conclusions: Differences in the preparation practices led to differences in the chemical results. The feeding bottles in the LSE group were high in energy, due to the addition of sugar and cereals to the milk in the bottle. The milk feeding bottles were an important weaning food providing more than 50% and 100% of the children's energy and protein requirements, respectively. The children's weight-for-age index was within the normal Lb-aits.

  DOI：

  10.1080/07315724.2002.10719222

文献信息

• Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0013071A1

  公开（公告）日：1980-07-09

  The invention provides new histamine H2- antagonist compounds of Structure 1 in which R' is hydrogen, lower alkyl, lower alkoxy, hydroxy, halogen, trifluoromethyl, nitro, amino, lower alkylamino, lower alkanoylamino, di(lower alkyl)amino or cyano; R2 is in the 3-, 4- or 5- position and is hydrogen, or R2 is lower alkyl substituted by amino, lower alkylamino, di(lower alkyl)amino, N-piperidino or N-pyrollidino, or R2 is ethoxy or propoxy w-substituted by amino, lower alkylamino, di(lower alkyl)amino, N-piperidino or N-pyrollidino; Y is methylene or oxygen and X is methylene or sulphur provided that one or two of the groups X and Y is methylene; Z is hydrogen or lower alkyl; A is C1-C5 alkylene or-(CH2)pW-(CH2)q-where W is oxygen or sulphur and p and q are such that their sum is from 1 to4, and B is hydrogen, methyl, C3-C6 cycloalkyl, a heteroaryl group optionally substituted by one or more of the groups lower alkyl, lower alkoxy, halo, hydroxy and amino, or B is a naphthyl, 6-(2,3-dihydro-1,4-benzodioxinyl), a 4- or 5-(1,3-benzodioxolyl) group, or a phenyl group optionally substituted with one or more lower alkyl, lower alkoxy, halogen, aryl(lower alkoxy), hydroxy, lower alkoxy-lower alkoxy, trifluoromethyl, di(lower alkyl)amino, phenoxy, halophenoxy, lower alkoxyphenoxy, phenyl, halophenyl or lower alkoxyphenyl groups and pharmaceutical compositions containing them. A compound of Structure 1 can be prepared by reacting a compound of Structure 3 in which Q is nitroamino, loweralkylthio, benzylthio or halogen with an amine of Structure 2, in which R3 is in the 3-, 4- or 5p position and is hydrogen, lower alkyl substituted by a group R4, or is R4CH2CH2O-or R4CH2CH2CH2O-, where R' is di(lower alkyl)amino, N-piperidino, N-pyrrollidino, a protected amino group or a protected lower alkylamino group, and where necessary any amino-protecting group present in the substituent R3 is removed.

  本发明提供了结构 1 的新型组胺 H2- 拮抗剂化合物 其中R'是氢、低级烷基、低级烷氧基、羟基、卤素、三氟甲基、硝基、氨基、低级烷基氨基、低级烷酰氨基、二（低级烷基）氨基或氰基；R2 位于 3-、4-或 5-位且为氢，或 R2 为被氨基、低级烷基氨基、二（低级烷基）氨基、N-哌啶基或 N-吡咯烷基取代的低级烷基，或 R2 为被氨基、低级烷基氨基、二（低级烷基）氨基、N-哌啶基或 N-吡咯烷基取代的乙氧基或丙氧基；Y 为亚甲基或氧，X 为亚甲基或硫，条件是 X 和 Y 中的一个或两个基团为亚甲基；Z 为氢或低级烷基；A是C1-C5亚烷基或-(CH2)pW-(CH2)q-其中W是氧或硫，p和q的和为1至4，B是氢、甲基、C3-C6环烷基、任选被一个或多个基团低级烷基、低级烷氧基、卤代、羟基和氨基取代的杂芳基，或者B是萘基、6-(2,3-二氢-1,4-苯并二噁烷基)、4-或5-(1、3-苯并二恶茂基）基团，或任选被一个或多个低级烷基、低级烷氧基、卤素、芳基（低级烷氧基）、羟基、低级烷氧基-低级烷氧基、三氟甲基、二（低级烷基）氨基、苯氧基、卤代苯氧基、低级烷氧基苯氧基、苯基、卤代苯基或低级烷氧基苯基基团取代的苯基基团以及含有它们的药物组合物。结构 1 的化合物可通过结构 3 的化合物（其中 Q 为硝基氨基、低级烷硫基、苄硫基或卤素） 与结构 2 的胺反应制备，其中 R3 位于 3-、4-或 5p 位，是氢、被基团 R4 取代的低级烷基或 R4CH2CH2O- 或 R4CH2CH2CH2O-，其中 R' 是二（低级烷基）氨基、N-哌啶基、N-吡咯烷基、受保护的氨基或受保护的低级烷基氨基，必要时去除取代基 R3 中存在的任何氨基保护基。
• US4496567A
  申请人：——

  公开号：US4496567A

  公开（公告）日：1985-01-29
• [EN] NEW HISTAMINE H2-ANTAGONISTS
  申请人：——

  公开号：WO1980000966A1

  公开（公告）日：1980-05-15

  (EN) New histamine H2-antagonist compounds of structure 1 (FORMULA) in which R1 is hydrogen, lower alkyl, lower alkoxy, hydroxy, halogen trifluoromethyl, nitro, amino, lower alkylamino, lower alkanoylamino, di (lower alkyl) amino or cyano; R2 is in the 3-, 4- or 5-position and is hydrogen, R2 is lower alkyl substituted by amino, lower alkylamino, di (lower alkyl) amino, N-piperidino or N-pyrollidino, or R2 is ethoxy or propoxy (Alpha)-substituted by amino, lower alkylamino, di (lower alkyl) amino, N-piperidino or N-pyrollidino; Y is methylene or oxygen and X is methylene or sulphur provided that one or two of the groups X and Y is methylene; Z is hydrogen or lower alkyl; A is C1-C5 alkylene or -(CH2)pW-(CH2)q where W is oxygen or sulphur and p and q are such that their sum is from 1 to 4, and B is hydrogen methyl, C3-C6 cycloalkyl, a heteroaryl group optionally substituted by one or more of the groups lower alkyl, lower alkoxy, halo, hydroxy and amino, or B is naphthyl, 6-(2,3-dihydro-1,4-benzodioxinyl), a4- or 5-(1,3-benzodioxolyl) group, or a phenyl group optionally substituted with one or more lower alkyl, lower alkoxy, halogen, aryl (lower alkoxy), hydroxy, lower alkoxy-lower alkoxy, trifluoromethyl, di (lower alkyl) amino, phenoxy, halophenoxy, lower alkoxyphenoxy, phenyl, halophenyl or lower alkoxyphenyl groups and pharmaceutical compositions containing them. A compound of structure 1 can be prepared by reacting a compound of structure 3 in which Q is nitroamino, loweralkylthio, benzylthio or halogen with an amine of structure 2, in which (FORMULA) R3 is in the 3-, 4- or 5-position and is hydrogen, lower alkyl substituted by a group R4, or is R4CH2CH2O-or R4CH2CH2CH2O-, where R4 is di(lower alkyl)amino, N-piperidino, N-pyrrollidino, a protected amino group or a protected lower alkylamino group, and where necessary any amino-protecting group present in the substituent R3 is removed. (FR) Nouveaux composes antagonistes des recepteurs-H2 de l"histamine, de structure 1 (FORMULE) dans laquelle R1 represente l"hydrogene, un groupe alkyle inferieur, alkoxy inferieur, hydroxy, halogene, trifluoromethyle, nitro, amino, alkylamino inferieur alcanoylamino inferieur, di(alkyle inferieur) aminoe ou cyano; R2 se trouve en position 3-, 4-, ou 5- et represente l"hydrogene ou R2 represente un groupe alkyle inferieur substitue par amino, alkylamino inferieur, di(alkyle inferieur) amino, N-piperidino ou N-pyrrolidino, ou R2 represente un groupe ethoxy ou propoxy (Alpha)-substitue par amino, alkylamino inferieur, di(alkyle inferieur) amino, N-piperidino ou N-pyrrolidino; Y represente un groupe methylene ou l"oxygene et X represente un methylene; Z represente l"hydrogene ou un groupe alkyle inferieur; A represente un groupe alkylene en C1-C5 ou -(CH2)pW-(CH2)q dans lequel W represente l"oxygene ou le soufre et p et q sont tels que leur somme est de 1 a 4, et B represente l"hydrogene, un groupe methyle, cycloalkyle en C3-C6, un groupe heteroaryle facultativement substitue par un ou plus des groupes alkyle inferieurs, alkoxy inferieurs, halo, hydroxy et amino ou B represente un groupe naphtyle, 6-(2,3-dihydro-1,4-benzodioxinyl), un groupe 4- ou 5-(1,3-benzodioxolyl) ou un groupe phenyle facultativement substitue par un ou plus d"un groupe alkyle inferieur, alkoxy inferieur, halogene, aryl (alkoxy inferieur), hydroxy, alkoxy inferieur-alkoxy inferieur, trifluoromethyl, di(alkyle inferieur) amino, phenoxy, halophenoxy, alkoxy inferieur phenoxy, phenyle, alophenyl ou groupes alkoxy inferieur phenyle et les compositions pharmaceutiques les contenant. Un compose de structure 1 peut etre prepare en faisant reagir un compose de structure 3 dans laquelle Q represente un groupe nitroamino, thio-alkyle inferieur, benzylthio ou un halogene avec une amine de structure 2 dans laquelle (FORMULE) R3 est en position 3-, 4- ou 5- et represente l"hydrogene, un groupe alkyl inferieur substitue par un groupe R4 ou represente un groupe R4CH2CH2O- ou R4CH2CH2CH2O- dans lequel R4 represente un groupe di(alkyle inferieur) amino, N-piperidino, N-pyrrolidino, un groupe amino protege ou un groupe akylamino inferieur protege et si necessaire, tout groupe protecteur de groupe amine present dans le substituent R3 est elimine.
• Phenyl alkylaminopyrimidones
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04496567A1

  公开（公告）日：1985-01-29

  The compounds are phenyl alkylaminopyrimidones which are histamine H.sub.2 -antagonists. A specific compound of the present invention is 2-[2-[3-(dimethylaminomethyl)benzylthio]ethylamino]-5-(6-methyl-3-pyridylm ethyl)-4-pyrimidone.

  这些化合物是苯基烷基氨基嘧啶酮，它们是组胺H.sub.2 -拮抗剂。本发明的一个具体化合物是2-[2-[3-(二甲氨基甲基)苄基硫基]乙氨基]-5-(6-甲基-3-吡啶甲基)-4-嘧啶酮。
• Determination of Macronutrients, by Chemical Analysis, of Home-Prepared Milk Feeding Bottles and their Contribution to the Energy and Protein Requirements of Infants from High and Low Socioeconomic Classes
  作者：Tania Beninga Morais、Dirce Maria Sigulem

  DOI：10.1080/07315724.2002.10719222

  日期：2002.6

  Objectives: To determine the macronutrients composition of home-prepared milk feeding bottles, by chemical analysis, and assess their contribution to the energy and protein requirements of children under two years of age from high (HSE) and low (LSE) socioeconomic classes.Methods: 72 samples were analyzed for energy density and protein, fat and carbohydrate content: 41 from the LSE group and 31 from the HSE group. The assessment of the percentages of the energy and protein requirements met by the consumption of the milk bottles was calculated as follows: the energy and protein per 100 mL obtained through chemical analysis were multiplied by the volume consumed at each feeding, then by the number of feedings per day, the results divided by the energy and protein requirements and multiplied by 100. Energy and protein requirements were those recommended by the FAO/WHO/UNU Committee and the Food and Nutrition Board. The children's weight-for-age index was assessed.Results: Unmodified cow's milk was largely consumed by both groups. The addition of sugar and other ingredients to the milk was significantly higher in the LSE group. Moisture, protein and fat content were lower in the LSE group. whereas carbohydrate and energy content were higher. The percentages of energy and protein requirements provided by feeding bottles were higher in the LSE group. Children in the LSE group had lower z-scores for weight-for-age.Conclusions: Differences in the preparation practices led to differences in the chemical results. The feeding bottles in the LSE group were high in energy, due to the addition of sugar and cereals to the milk in the bottle. The milk feeding bottles were an important weaning food providing more than 50% and 100% of the children's energy and protein requirements, respectively. The children's weight-for-age index was within the normal Lb-aits.