aminopropionaldehyde acetal | 148020-94-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: aminopropionaldehyde acetal
• 英文别名: 3-amino-propanediol；amino propanediol；aminopropane diol；Dihydroxypropyl amine；3-aminopropane-1,1-diol
• CAS: 148020-94-4
• 化学式: C₃H₉NO₂
• 分子量: 91.11
• InChiKey: VACJHIUSZPBOOF-UHFFFAOYSA-N

物化性质

• 沸点：
  242.8±20.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  aminopropionaldehyde acetal 在 双氧水 、 溶剂黄146 作用下， 以84.3 %的产率得到1,1'-(羟基亚氨基)双[2-丙醇]
  参考文献：
  名称：

  一种制备二羟丙基羟胺的方法及反应系统和得到的产品

  摘要：

  一种制备二羟丙基羟胺的方法及反应系统和得到的产品，所述的方法包括以下步骤：S1、将二羟丙基胺与羧酸，加或不加有机溶剂搅拌溶解；S2、与双氧水溶液混合，双氧水和二羟丙基胺进行氧化反应；S3、将所得产物进行减压蒸馏，脱除有机溶剂和羧酸，得到二羟丙基羟胺产品。本发明提供的方法仅需一步反应即可制备二羟丙基羟羟胺化合物，具有反应收率高、产品提纯容易，得到的二羟丙基羟胺产品纯度高，原料廉价易得的特点。

  公开号：

  CN117342972A

文献信息

• 9H-Dibenzo[b,f]imidazo[1,2-d][1,4]diazepines
  申请人：The Upjohn Company

  公开号：US03956297A1

  公开（公告）日：1976-05-11

  9H-Dibenzoimidazodiazepine compounds of the formula: ##SPC1## Wherein R.sub.1 is hydrogen, alkyl, ##SPC2## In which W is H, chlorine, or fluorine, or R.sub.1 is ##EQU1## IN WHICH N IS AN INTEGER OF 2 TO 4, AND R.sub.o ' and R.sub.o ' are hydrogen or alkyl defined as above, or together ##EQU2## IS PYRROLIDINO, PIPERIDINO, N-methylpiperazino, or morpholino, wherein R.sub.3 and R.sub.4 are hydrogen or alkyl as defined above, or, R.sub.3 or R.sub.4 can be ##EQU3## IN WHICH ##EQU4## IS DEFINED AS ABOVE AND WHEREIN R.sub.2 and R.sub.6 are selected from the group consisting of hydrogen, halogen, or -CF.sub.3, are produced by multistep reactions. The compounds of the formula above and the pharmacologically acceptable acid addition salts thereof are useful sedatives and anti-depressants. They can also be administered to mammals to alleviate anxieties and produce tranquilization and sedation.

  公式为：##SPC1## 其中 R.sub.1 是氢、烷基、##SPC2## 其中 W 是氢、氯或氟，或者 R.sub.1 是##EQU1## 其中 N 是2至4的整数，R.sub.o'和R.sub.o'是上述定义的氢或烷基，或者一起##EQU2## 是吡咯烷基、哌啶基、N-甲基哌嗪基或吗啡基，其中R.sub.3和R.sub.4是上述定义的氢或烷基，或者R.sub.3或R.sub.4可以是##EQU3## 其中##EQU4##如上定义，且其中R.sub.2和R.sub.6选自氢、卤素或-CF.sub.3的群，通过多步反应制得。上述公式的化合物及其药学上可接受的酸盐是有用的镇静剂和抗抑郁剂。它们也可以被用于哺乳动物以缓解焦虑并产生镇静和催眠作用。
• PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE
  申请人：Castelhano Arlindo

  公开号：US20080261943A1

  公开（公告）日：2008-10-23

  The subject invention provides compounds having the structure: wherein, R 1 is a substituted or unsubstituted alkyl, wherein the substituent is hydroxyl, dihydroxy, carboxyl, —C(═O)NR a R b , —NR a R b , —NR a C(═O)NR a R b , —NR a C(═O)OR a , —OC(═O)NR a R b , or —NH C(═O) R a ; R 2 is hydrogen or a substituted or unsubstituted alkyl, wherein the substituent is hydroxyl, dihydroxy, carboxyl, —C(═O)NR a R b , —NR a R b , —NR a C(═O)NR a R b , —NR a C(═O)OR a , —OC(═O)NR a R b , or —NHC(═O)R a , or R 1 , R 2 and N together form a substituted piperazine, substituted azetidine ring, or a pyrrolidine ring substituted with —(CH 2 ) 2 OH or —CH 2 C(═O)OH; R 3 is a substituted or unsubstituted phenyl or a 5-6 membered heteroaryl ring, wherein the substituent is halogen, hydroxyl, cyano, (C 1 -C 15 )alkyl, (C 1 -C 15 )alkoxy, or —NR a R b ; R 4 is hydrogen or substituted or unsubstituted (C 1 -C 15 )alkyl; R 5 is —(CH 2 ) m OR 6 , —CHNOR 7 , —C(═O)NR 8 R 9 , —(CH 2 ) m C(═O)OR 10 , —(CH 2 ) k C(═O)NR 11 R 12 ; wherein R 6 is a substituted or unsubstituted (C 1 -C 30 )alkyl, (C 3 -C 10 )cycloalkyl, or an aryl, heteroaryl or 4-8 membered heterocyclic ring; R 7 is hydrogen, or a substituted or unsubstituted (C 1 -C 30 )alkyl, (C 1 -C 30 )alkylaryl; R 8 and R 9 are each independently hydrogen, or a substituted or unsubstituted (C 1 -C 30 )alkyl, (C 1 -C 30 )alkylaryl, (C 1 -C 30 )alkylamino, (C 1 -C 30 )alkoxy, or a saturated or unsaturated, monocyclic or bicyclic, carbocyclic or heterocyclic ring, or R 8 , N, and R 9 together form a substituted or unsubstituted 4-8 membered heterocyclic ring; R 10 is hydrogen or a substituted or unsubstituted (C 1 -C 30 )alkyl, (C 3 -C 10 )cycloalkyl, or an aryl, heteroaryl or heterocyclic ring; R 11 , N and R 12 together form a 4-8 membered heterocyclic ring; R a and R b are each independently hydrogen or alkyl; m is 0, 1, 2 or 3; and k is 1, 2 or 3, or a specific enantiomer thereof, or a specific tautomer thereof, or a pharmaceutically acceptable salt thereof, and a method for treating a disease associated with the A 2b adenosine receptor in a subject in need of such treatment comprising administering to the subject a therapeutically effective amount of the compounds of the invention.

  本发明提供了具有以下结构的化合物：其中，R1是取代或未取代的烷基，其中取代基是羟基，二羟基，羧基，—C（═O）NRaRb，—NRaRb，—NRaC（═O）NRaRb，—NRaC（═O）ORa，—OC（═O）NRaRb或—NH C（═O） Ra；R2是氢或取代或未取代的烷基，其中取代基是羟基，二羟基，羧基，—C（═O）NRaRb，—NRaRb，—NRaC（═O）NRaRb，—NRaC（═O）ORa，—OC（═O）NRaRb或—NHC（═O）Ra，或R1，R2和N共同形成取代的哌嗪，取代的氮杂环丙烷环或取代的吡咯烷环，取代基为—（CH2）2OH或— C（═O）OH；R3是取代或未取代的苯基或5-6成员的杂芳基环，其中取代基为卤素，羟基，氰基，（C1-C15）烷基，（C1-C15）烷氧基或—NRaRb；R4是氢或取代或未取代的（C1-C15）烷基；R5是—（ ）mOR6，—CHNOR7，—C（═O）NR8R9，—（ ）mC（═O）OR10，—（ ）kC（═O）NR11R12；其中，R6是取代或未取代的（C1-C30）烷基，（C3-C10）环烷基或芳基，杂芳基或4-8成员的杂环；R7是氢或取代或未取代的（C1-C30）烷基，（C1-C30）烷基芳基；R8和R9各自独立地是氢或取代或未取代的（C1-C30）烷基，（C1-C30）烷基芳基，（C1-C30）烷基氨基，（C1-C30）烷氧基或饱和或不饱和的单环或双环，碳环或杂环，或R8，N和R9共同形成取代或未取代的4-8成员的杂环；R10是氢或取代或未取代的（C1-C30）烷基，（C3-C10）环烷基，芳基，杂芳基或杂环；R11，N和R12共同形成4-8成员的杂环；Ra和Rb各自独立地是氢或烷基；m为0，1，2或3；k为1，2或3，或其特定对映体，或其特定互变异构体，或其药学上可接受的盐，以及一种用于治疗与A2b腺苷受体相关的疾病的方法，包括向需要这种治疗的受体中施用本发明化合物的治疗有效量。
• Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use
  申请人：OSI Pharmaceuticals, Inc.

  公开号：US07645754B2

  公开（公告）日：2010-01-12

  The subject invention provides compounds having the structure: wherein, R1 is a substituted or unsubstituted alkyl, wherein the substituent is hydroxyl, dihydroxy, carboxyl, —C(═O)NRaRb, —NRaRb, —NRaC(═O)NRaRb, —NRaC(═O)ORa, —OC(═O)NRaRb, or —NHC(═O) Ra; R2 is hydrogen or a substituted or unsubstituted alkyl, wherein the substituent is hydroxyl, dihydroxy, carboxyl, —C(═O)NRaRb, —NRaRb, —NRaC(═O)NRaRb, —NRaC(═O)ORa, —OC(═O)NRaRb, or —NHC(═O)Ra, or R1, R2 and N together form a substituted piperazine, substituted azetidine ring, or a pyrrolidine ring substituted with —(CH2)2OH or —CH2C(═O)OH; R3 is a substituted or unsubstituted phenyl or a 5-6 membered heteroaryl ring, wherein the substituent is halogen, hydroxyl, cyano, (C1-C15)alkyl, (C1-C15)alkoxy, or —NRaRb; R4 is hydrogen or substituted or unsubstituted (C1-C15)alkyl; R5 is —(CH2)mOR6, —CHNOR7, —C(═O)NR8R9, —(CH2)mC(═O)OR10, —(CH2)kC(═O)NR11R12; wherein R6 is a substituted or unsubstituted (C1-C30)alkyl, (C3-C10)cycloalkyl, or an aryl, heteroaryl or 4-8 membered heterocyclic ring; R7 is hydrogen, or a substituted or unsubstituted (C1-C30)alkyl, (C1-C30)alkylaryl; R8 and R9 are each independently hydrogen, or a substituted or unsubstituted (C1-C30)alkyl, (C1-C30)alkylaryl, (C1-C30)alkylamino, (C1-C30)alkoxy, or a saturated or unsaturated, monocyclic or bicyclic, carbocyclic or heterocyclic ring, or R8, N, and R9 together form a substituted or unsubstituted 4-8 membered heterocyclic ring; R10 is hydrogen or a substituted or unsubstituted (C1-C30)alkyl, (C3-C10)cycloalkyl, or an aryl, heteroaryl or heterocyclic ring; R11, N and R12 together form a 4-8 membered heterocyclic ring; Ra and Rb are each independently hydrogen or alkyl; m is 0, 1, 2 or 3; and k is 1, 2 or 3, or a specific enantiomer thereof, or a specific tautomer thereof, or a pharmaceutically acceptable salt thereof, and a method for treating a disease associated with the A2b adenosine receptor in a subject in need of such treatment comprising administering to the subject a therapeutically effective amount of the compounds of the invention.

  本发明提供具有以下结构的化合物：其中，R1是取代或未取代的烷基，其中取代基是羟基、二羟基、羧基、—C（═O）NRaRb、—NRaRb、—NRaC（═O）NRaRb、—NRaC（═O）ORa、—OC（═O）NRaRb或—NHC（═O）Ra；R2是氢或取代或未取代的烷基，其中取代基是羟基、二羟基、羧基、—C（═O）NRaRb、—NRaRb、—NRaC（═O）NRaRb、—NRaC（═O）ORa、—OC（═O）NRaRb或—NHC（═O）Ra，或R1、R2和N共同形成取代的哌嗪、取代的氮杂环丙烷环或取代的吡咯烷环，其被取代的基团为—（CH2）2OH或— C（═O）OH；R3是取代或未取代的苯或5-6成员的杂芳环，其中取代基是卤素、羟基、氰基、（C1-C15）烷基、（C1-C15）烷氧基或—NRaRb；R4是氢或取代或未取代的（C1-C15）烷基；R5是—（ ）mOR6、—CHNOR7、—C（═O）NR8R9、—（ ）mC（═O）OR10、—（ ）kC（═O）NR11R12；其中，R6是取代或未取代的（C1-C30）烷基、（C3-C10）环烷基或芳基、杂芳基或4-8成员的杂环；R7是氢或取代或未取代的（C1-C30）烷基、（C1-C30）烷基芳基；R8和R9分别独立地是氢或取代或未取代的（C1-C30）烷基、（C1-C30）烷基芳基、（C1-C30）烷基氨基、（C1-C30）烷氧基或饱和或不饱和的、单环或双环、碳环或杂环，或R8、N和R9共同形成取代或未取代的4-8成员的杂环；R10是氢或取代或未取代的（C1-C30）烷基、（C3-C10）环烷基或芳基、杂芳基或杂环；R11、N和R12共同形成4-8成员的杂环；Ra和Rb分别独立地是氢或烷基；m为0、1、2或3；k为1、2或3，或其特定对映体，或其特定互变异构体，或其药学上可接受的盐，以及一种用于治疗需要该治疗的受体A2b腺苷酸受体相关疾病的患者的方法，包括向患者投与本发明化合物的治疗有效量。