N-(2-氨基-2-甲基丙基)氨基甲酸乙酯 | 87484-90-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(2-氨基-2-甲基丙基)氨基甲酸乙酯
• 英文名称: 1,1-dimethyl-2-(ethoxycarbonylamino)ethylamine
• 英文别名: 1,1-dimethyl-2-ethoxycarbonylaminoethylamine；ethyl N-(2-amino-2-methylpropyl)carbamate
• CAS: 87484-90-0
• 化学式: C₇H₁₆N₂O₂
• 分子量: 160.216
• InChiKey: VJEXBPHXPGKMAE-UHFFFAOYSA-N

物化性质

• 沸点：
  252.8±23.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-氨基-2-甲基丙基)氨基甲酸乙酯 、 1,2-epoxy-3-<2-(methoxycarbonyl)phenoxy>propane 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 Methyl 2-[3-[[1-(ethoxycarbonylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzoate
  参考文献：
  名称：

  Ultra-short-acting .beta.-adrenergic receptor blocking agents. 3. Ethylenediamine derivatives of (aryloxy)propanolamines having esters on the aryl function

  摘要：

  Various ethylenediamine derivatives have been incorporated into the nitrogen substituent of certain short-acting (aryloxy)propanolamine systems that contain esters on their aryl functions. Although several of these compounds showed durations of action comparable to their prototypes, most of the nitrogen substituents significantly prolonged the duration of beta-adrenergic blockade. Similarly, while one of the compounds showed appreciable cardioselectivity in vitro, generally, little enhancement of cardioselectivity was obtained. A brief discussion of structure-activity relationships observed for the ethylenediamine derivatives is presented.

  DOI：

  10.1021/jm00362a004
• 作为产物：
  描述：

  氯甲酸乙酯 、 1,2-二氨基-2-甲基丙烷 在 三乙胺 作用下， 以 乙醚 为溶剂， 以38 g (95%)的产率得到N-(2-氨基-2-甲基丙基)氨基甲酸乙酯
  参考文献：
  名称：

  2-hydroxypropylamine heteroaryl ester derivatives

  摘要：

  本发明涉及一般式为##STR1##的化合物，其中Ar代表取代或未取代的杂环基团；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1，--NR.sub.2 CONR.sub.1 R.sub.3，--NR.sub.2 SO.sub.2 R.sub.1，NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1，R.sub.2和R.sub.3可能相同也可能不同，可以是氢，烷基，烷氧基烷基，环烷基，烯基，炔基，芳基，杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5到7成员的杂环基团，以及其药用盐。这些化合物表现出β-肾上腺素受体阻滞活性，并且在青光眼的治疗中也很有用。

  公开号：

  US04798892A1

文献信息

• Esters of thiadiazole oxypropanolaine derivatives and pharmaceutical uses
  申请人：American Hospital Supply Corporation

  公开号：US04623652A1

  公开（公告）日：1986-11-18

  Novel compounds of the general formula ##STR1## wherein R.sub.1 is lower alkyl, lower cycloalkyl, lower alkenyl, lower alkynyl, lower alkyl carboxymethyl, aryl carboxymethyl, aryl, or aralkyl; A is a direct bond, lower alkylene, or lower alkenylene; x is 1 or 2, provided that when x is greater than 1, different occurrences of the ##STR2## group may be the same or different; Ar is heterocyclic, unsubstituted aromatic or aromatic substituted with lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, halogen, acetamido, amino, nitro, lower alkylamino, hydroxy, lower hydroxyalkyl or cyano; W is alkylene containing from 1 to about 10 carbon atoms; and B is --NR.sub.2 COR.sub.3, --NR.sub.2 CONR.sub.3 R.sub.4, --NR.sub.2 SO.sub.2 R.sub.3, --NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4, or --NR.sub.2 COOR.sub.5, wherein R.sub.2, R.sub.3, R.sub.4 and R.sub.5 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, alkoxyaryl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.3 and R.sub.5 are not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.3 or --NR.sub.2 COOR.sub.5, or R.sub.3 and R.sub.4 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof.

  通用公式为##STR1##的新型化合物，其中R.sub.1是较低的烷基、较低的环烷基、较低的烯基、较低的炔基、较低的烷基羧甲基、芳基羧甲基、芳基或芳基烷基；A是直链键、较低的烷基烯烃或较低的烯烃基；x为1或2，但当x大于1时，##STR2##基的不同发生位置可能相同或不同；Ar为杂环、未取代的芳香族或芳香族取代的较低烷基、较低烯基、较低炔基、较低烷氧基、卤素、乙酰胺基、氨基、硝基、较低烷基氨基、羟基、较低羟基烷基或氰基；W为含有1至约10个碳原子的烷基；B为--NR.sub.2 COR.sub.3、--NR.sub.2 CONR.sub.3 R.sub.4、--NR.sub.2 SO.sub.2 R.sub.3、--NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4或--NR.sub.2 COOR.sub.5，其中R.sub.2、R.sub.3、R.sub.4和R.sub.5可能相同也可能不同，可以是氢、烷基、烷氧基烷基、烷氧基芳基、环烷基、烯基、炔基、芳基、杂环芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.3或--NR.sub.2 COOR.sub.5时，R.sub.3和R.sub.5不是氢，或者R.sub.3和R.sub.4可以与N一起形成5到7个成员的杂环基团；及其药用盐。
• Aromatic and esters of hydroxypropylamines
  申请人：American Hospital Supply Corporation

  公开号：US04582855A1

  公开（公告）日：1986-04-15

  Novel compounds of the general formula ##STR1## wherein Ar represents a substituted or unsubstituted aromatic or heterocyclic group; W represents alkylene of from 1 to about 10 carbon atoms; and B represents --NR.sub.2 COR.sub.1, --NR.sub.2 CONR.sub.1 R.sub.3, --NR.sub.2 SO.sub.2 R.sub.1, --NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3, or --NR.sub.2 COOR.sub.1 wherein R.sub.1, R.sub.2 and R.sub.3 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.1 is not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.1 or --NR.sub.2 COOR.sub.1, or R.sub.1 and R.sub.3 may together with N form a 5 to 7 momoered heterocyclic group; and the pharmaceutically acceptable salts thereof. These compounds exhibit .beta.-adrenergic blocking activity and are also useful in the treatment of glaucoma.

  通式为##STR1##的新化合物，其中Ar代表取代或未取代的芳香族或杂环基团；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1、--NR.sub.2 CONR.sub.1 R.sub.3、--NR.sub.2 SO.sub.2 R.sub.1、--NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1、R.sub.2和R.sub.3可以相同也可以不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、芳基、杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5到7元杂环基团；以及其药学上可接受的盐。这些化合物具有β-肾上腺素受体阻滞活性，并且在青光眼的治疗中也很有用。
• Esters of aryloxypropanolamine derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04906661A1

  公开（公告）日：1990-03-06

  Novel compounds of the general formula ##STR1## wherein R.sub.1 is lower alkyl, lower cycloalkyl, lower alkenyl, lower alkynyl, lower alkyl carboxymethyl, aryl carboxymethyl, aryl, or aralkyl; A is a direct bond, lower alkylene, or lower alkenylene; x is 1 or 2, provided that when x is greater than 1, different occurrences of the ##STR2## group may be the same or different; Ar is heterocyclic, unsubstituted aromatic or aromatic substituted with lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, halogen, acetamido, amino, nitro, lower alkylamino, hydroxy, lower hydroxyalkyl or cyano; W is alkylene containing from 1 to about 10 carbon atoms; and B is --NR.sub.2 COR.sub.3, --NR.sub.2 CONR.sub.3 R.sub.4, --NR.sub.2 SO.sub.2 R.sub.3, --NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4, or --NR.sub.2 COOR.sub.5, wherein R.sub.2, R.sub.3, R.sub.4 and R.sub.5 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, alkoxyaryl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.3 and R.sub.5 are not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.3 or --NR.sub.2 COOR.sub.5, or R.sub.3 and R.sub.4 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof.

  通式为##STR1##的新化合物，其中R.sub.1是低烷基，低环烷基，低烯基，低炔基，低烷基羧甲基，芳基羧甲基，芳基或芳基烷基;A是直接键，低碳链或低烯链; x为1或2，当x大于1时，##STR2##组的不同出现可以相同或不同; Ar为杂环，未取代芳香族或芳香族取代低烷基，低烯基，低炔基，低烷氧基，卤素，乙酰胺基，氨基，硝基，低烷基氨基，羟基，低羟基烷基或氰基; W为含有1到约10个碳原子的烷基; B为--NR.sub.2 COR.sub.3，--NR.sub.2 CONR.sub.3 R.sub.4，--NR.sub.2 SO.sub.2 R.sub.3，--NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4或--NR.sub.2 COOR.sub.5，其中R.sub.2，R.sub.3，R.sub.4和R.sub.5可以相同或不同，可以是氢，烷基，烷氧基烷基，烷氧基芳基，环烷基，烯基，炔基，芳基，杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.3或--NR.sub.2 COOR.sub.5时，R.sub.3和R.sub.5不是氢，或者R.sub.3和R.sub.4可以与N一起形成一个5到7成员的杂环基团;以及其药学上可接受的盐。
• 2-hydroxypropylamine aryl ester derivatives and pharmaceutical use
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04935421A1

  公开（公告）日：1990-06-19

  Novel compounds of the general formula ##STR1## wherein Ar represents a substituted or unsubstituted aromatic or heterocyclic group; W represents alkylene of from 1 to about 10 carbon atoms; and B represents --NR.sub.2 COR.sub.1, --NR.sub.2 CONR.sub.1 R.sub.3, --NR.sub.2 SO.sub.2 R.sub.1, --NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3, or --NR.sub.2 COOR.sub.1 wherein R.sub.1, R.sub.2 and R.sub.3 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.1 is not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.1 or --NR.sub.2 COOR.sub.1, or R.sub.1 and R.sub.3 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof. These compounds exhibit .beta.-adrenergic blocking activity and are also useful in the treatment of glaucoma.

  一般式为##STR1##的新化合物，其中Ar代表取代或未取代的芳香或杂环基；W代表1至约10个碳原子的烷基；B代表--NR.sub.2 COR.sub.1、--NR.sub.2 CONR.sub.1 R.sub.3、--NR.sub.2 SO.sub.2 R.sub.1、--NR.sub.2 SO.sub.2 NR.sub.1 R.sub.3或--NR.sub.2 COOR.sub.1，其中R.sub.1、R.sub.2和R.sub.3可以相同或不同，可以是氢、烷基、烷氧基烷基、环烷基、烯基、炔基、芳基、杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.1或--NR.sub.2 COOR.sub.1时，R.sub.1不是氢，或者R.sub.1和R.sub.3可以与N一起形成5到7个成员的杂环基；以及其药学上可接受的盐。这些化合物表现出β-肾上腺素能阻断活性，并且在青光眼的治疗中也有用。
• Esters of aryloxypropanolamine derivatives and medicinal uses
  申请人：E. I. Du Pont de Nemours & Co., Inc.

  公开号：US04692446A1

  公开（公告）日：1987-09-08

  Novel compounds of the general formula ##STR1## wherein R.sub.1 is lower alkyl, lower cycloalkyl, lower alkenyl, lower alkynyl, lower alkyl carboxymethyl, aryl carboxymethyl, aryl, or aralkyl; A is a direct bond, lower alkylene, or lower alkenylene; x is 1 or 2, provided that when x is greater than 1, different occurrences of the ##STR2## group may be the same or different; Ar is heterocyclic, unsubstituted aromatic or aromatic substituted with lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, halogen, acetamido, amino, nitro, lower alkylamino, hydroxy, lower hydroxyalkyl or cyano; W is alkylene containing from 1 to about 10 carbon atoms; and B is --NR.sub.2 COR.sub.3, --NR.sub.2 CONR.sub.3 R.sub.4, --NR.sub.2 SO.sub.2 R.sub.3, --NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4, or --NR.sub.2 COOR.sub.5, wherein R.sub.2, R.sub.3, R.sub.4 and R.sub.5 may be the same or different and may be hydrogen, alkyl, alkoxyalkyl, alkoxyaryl, cycloalkyl, alkenyl, alkynyl, aryl, heteroaryl, or aralkyl, except that R.sub.3 and R.sub.5 are not hydrogen when B is --NR.sub.2 SO.sub.2 R.sub.3 or --NR.sub.2 COOR.sub.5, or R.sub.3 and R.sub.4 may together with N form a 5 to 7 membered heterocyclic group; and the pharmaceutically acceptable salts thereof.

  一般式为## STR1 ##的新化合物，其中R.sub.1为低烷基，低环烷基，低烯基，低炔基，低烷基羧甲基，芳基羧甲基，芳基或芳基烷基; A为直接键，低烷基，或低烯基; x为1或2，但当x大于1时，## STR2 ##组件的不同出现可以相同或不同; Ar为杂环，未取代的芳香族或芳香族取代低烷基，低烯基，低炔基，低烷氧基，卤素，乙酰胺，氨基，硝基，低烷基氨基，羟基，低羟基烷基或氰基; W为含有1至约10个碳原子的烷基; B为--NR.sub.2 COR.sub.3，--NR.sub.2 CONR.sub.3 R.sub.4，--NR.sub.2 SO.sub.2 R.sub.3，--NR.sub.2 SO.sub.2 NR.sub.3 R.sub.4或--NR.sub.2 COOR.sub.5，其中R.sub.2，R.sub.3，R.sub.4和R.sub.5可以相同或不同，可以是氢，烷基，烷氧基烷基，烷氧基芳基，环烷基，烯基，炔基，芳基，杂芳基或芳基烷基，但当B为--NR.sub.2 SO.sub.2 R.sub.3或--NR.sub.2 COOR.sub.5时，R.sub.3和R.sub.5不是氢，或R.sub.3和R.sub.4可以与N一起形成5到7个成员的杂环基;及其药学上可接受的盐。