[1-氯-3-异丙基氨基-2-丙醇 | 50666-68-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 中文名称: [1-氯-3-异丙基氨基-2-丙醇
• 英文名称: 3-isopropylamino-2-hydroxy-1-chloropropane
• 英文别名: (+/-)-1-chloro-3-isopropylamino-2-propanol；1-chloro-3-(propan-2-ylamino)propan-2-ol；1-chloro-3-i-propylamino-2-propanol；1-chloro-2-hydroxy-3-isopropylaminopropane；1-chloro-3-isopropylamino-2-propanol；1-chloro-2-hydroxy-3-(1-methylethyl)-amino-propane
• CAS: 50666-68-7
• 化学式: C₆H₁₄ClNO
• mdl: MFCD18969396
• 分子量: 151.636
• InChiKey: ZRBLAFWOGCBZPV-UHFFFAOYSA-N

物化性质

• 沸点：
  244.0±25.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  [1-氯-3-异丙基氨基-2-丙醇 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 乙腈 、 Petroleum ether 为溶剂， 反应 76.0h， 生成 1-(1-甲基乙基)氮杂啶-3-醇
  参考文献：
  名称：

  Higgins, Robert H.; Eaton, Quentin L.; Worth, Leroy, Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 255 - 259

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙胺 、 环氧氯丙烷 以 异丙醇 为溶剂， 反应 18.0h， 以56%的产率得到[1-氯-3-异丙基氨基-2-丙醇
  参考文献：
  名称：

  常压固定二氧化碳可切换合成环状氨基甲酸酯

  摘要：

  开发了使用大气压二氧化碳作为 C1 源的五元和六元环状氨基甲酸酯的碱基促进可切换合成。产品的化学选择性可以通过改变碱和溶剂来简单地控制。该反应在温和条件下有效进行，得到有价值的环状氨基甲酸酯。实验结果和 DFT 研究揭示了反应机理。

  DOI：

  10.1039/d1cc02493k

文献信息

• O‐Alkylation of Pyridine Aldo‐ and Ketoximes with Dihalohydrins under Phase‐Transfer Conditions
  作者：Ahmet Koçak、Sultan Kurbanlı、Sait Malkondu

  DOI：10.1080/00397910701198997

  日期：2007.4.1

  regiospecifically to afford the corresponding O‐halohydrins in good yields. In this study, first O‐halohydrin derivatives were converted into glycidyl ether derivatives, and then a new series of amino alcohols were synthesized by the condensation of amines with these glycidyl ethers.

  在苯（或 DMSO）/10% 水溶液中，(E)-吡啶醛和 (E)-酮肟与二卤代醇的相转移催化烷基化。在十四烷基溴化铵存在下的 NaOH 系统区域特异性地进行，以良好的收率提供相应的 O-卤代醇。在这项研究中，首先将 O-卤代醇衍生物转化为缩水甘油醚衍生物，然后通过胺与这些缩水甘油醚缩合合成一系列新的氨基醇。
• Aminopropanol derivatives, process for their preparation and
  申请人：EGIS Gyogyszergyar

  公开号：US05130487A1

  公开（公告）日：1992-07-14

  The invention relates to novel racemic or optically active aminopropanol derivatives of formula I ##STR1## wherein R and R.sup.1 are independently hydrogen atom, halogen atom, lower alkoxy, or together represent a methylene dioxy group, R.sup.2 and R.sup.3 together represent a chemical bond or independently stand for a hydrogen atom, R.sup.4 and R.sup.5 are independently hydrogen atom, C.sub.3-7 cycloalkyl group or straight or branched, saturated or unsaturated C.sub.1-12 alkyl group optionally substituted by one or more dialkylaminoalkyl, dimethoxyphenyl or phenyl groups, or R.sup.4 and R.sup.5 together with the adjacent nitrogen atom form a 4 to 7 membered ring optionally comprising an oxygen, sulfur or a further nitrogen atom, which ring is optionally substituted by a phenyl, benzyl or C.sub.1-3 alkyl group and the said substituents may carry a hydroxyl group, one or two methoxy groups, halogen atoms or trifluoromethyl groups, or R.sup.4 and R.sup.5 together with the adjacent nitrogen atom form a piperidine ring which is optionally substituted by a phenyl or benzyl group and, if desired, it comprises a double bond, R.sup.6 stands for hydrogen atom or benzoyl group, and n represents an integer from 3 to 6, acid-addition salts and quaternary ammonium derivatives thereof. Further the invention relates to processes for preparing these compounds. The compounds of the invention exert cardiac circulation controlling and/or improving, central nervous system tranquillizing and/or digestive system irregulations improving effects.

  该发明涉及公式I的新型外消旋或光学活性氨基丙醇衍生物，其中R和R.sup.1分别是氢原子、卤原子、低级烷氧基，或者一起代表亚甲二氧基基团，R.sup.2和R.sup.3一起代表化学键或独立地代表氢原子，R.sup.4和R.sup.5分别是氢原子、C.sub.3-7环烷基或直链或支链、饱和或不饱和的C.sub.1-12烷基，可选地被一个或多个二烷氨基烷基、二甲氧基苯基或苯基取代，或者R.sup.4和R.sup.5与相邻的氮原子一起形成一个含氧、硫或另一个氮原子的4至7元环，该环可选地被苯基、苄基或C.sub.1-3烷基取代，所述取代基可能携带一个羟基、一个或两个甲氧基基、卤原子或三氟甲基基，或者R.sup.4和R.sup.5与相邻的氮原子一起形成一个哌啶环，该环可选地被苯基或苄基取代，并且如有必要，它包括一个双键，R.sup.6代表氢原子或苯甲酰基，n表示一个从3到6的整数，以及它们的酸盐和季铵衍生物。此外，该发明涉及制备这些化合物的方法。该发明的化合物具有调节心脏循环和/或改善、中枢神经系统镇静和/或改善消化系统失调的作用。
• New amines and processes for their manufacture
  申请人：Ciba-Geigy Corporation

  公开号：US03935259A1

  公开（公告）日：1976-01-27

  Compounds selected from the group consisting of amines of the formula I ##EQU1## in which R.sub.1 and R.sub.2 stand for a member selected from lower alkyl, lower alkenyl, cycloalkyl having 4 to 7 ring members, phenyl-lower alkyl, phenyl-lower alkyl substituted in the phenyl residue by a member selected from lower alkyl, lower alkoxy, halogen and trifluoromethyl, lower alkylene, oxalower alkylene, aza-lower alkylene and thia-lower alkylene, and one of R.sub.1 and R.sub.2 stands for hydrogen and the other has the above meanings, Ph stands for a member selected from meta- and para-phenylene and meta- and para-phenylene substituted by a member selected from lower alkyl, lower alkenyl, lower alkinyl, mercapto-lower alkyl, hydroxy-lower alkyl, phenyl, cyano, hydrogen, halogen, lower alkoxy, lower alkenyloxy, lower alkinyloxy, mono-, di and trihalogeno-lower alkyl, cycloalkyl having 5 to 7 ring members and phenoxy, and R.sub.3 stands for a member selected from lower alkyl and cycloalkyl having 5 to 7 ring members, and their condensation product with aldehydes and ketones, and their salts are useful as agents for the inhibition of the cardiac .beta.-receptors.

  从公式I中选择的化合物，其中R1和R2代表从低烷基，低烯基，环状烷基（具有4到7个环成员），苯基-低烷基，苯基-低烷基在苯基残基中取自低烷基，低烷氧基，卤素和三氟甲基，低烷基，草酰低烷基，氮杂低烷基和硫杂低烷基中选择的成员，其中R1和R2中的一个代表氢，另一个具有上述含义，Ph代表从间位和对位苯基和从低烷基，低烯基，低炔基，巯基-低烷基，羟基-低烷基，苯基，氰基，氢，卤素，低烷氧基，低烯基氧基，低炔基氧基，单，二和三卤代低烷基，具有5至7个环成员的环状烷基和苯氧基中选择的成员，R3代表选择的低烷基和具有5至7个环成员的环状烷基，它们与醛和酮的缩合产物以及它们的盐可用作心脏β-受体抑制剂。
• Pharmaceutical preparations containing amines useful for treatment of cardiovascular diseases
  申请人：AKTIEBOLAGET HASSLE

  公开号：US03930016A1

  公开（公告）日：1975-12-30

  New amines of the formula WHEREIN THE RADICALS R1, R2 and R3 may be any of a variety of groups described below, several methods for preparing them and the use thereof in the treatment of cardiovascular diseases, particularly in blocking cardial and vascular beta-receptors.

  新的胺类化合物，其化学式中的基团R1、R2和R3可以是下述各种基团之一，有多种制备方法，并可用于治疗心血管疾病，特别是阻断心脏和血管β受体。
• Cycloalkylureido phenoxy propanolamines
  申请人：Ciba-Geigy Corporation

  公开号：US04038313A1

  公开（公告）日：1977-07-26

  Compounds selected from the group consisting of amines of the formula I ##STR1## in which R.sub.1 and R.sub.2 stand for a member selected from lower alkyl, lower alkenyl, cycloalkyl having 4 to 7 ring members, phenyl-lower alkyl, phenyl-lower alkyl substituted in the phenyl residue by a member selected from lower alkyl, lower alkoxy, halogen and trifluoromethyl, lower alkylene, oxa-lower alkylene, aza-lower alkylene and thia-lower alkylene, and one of R.sub.1 and R.sub.2 stands for hydrogen and the other has the above meanings, Ph stands for a member selected from meta- and para-phenylene and meta- and para-phenylene substituted by a member selected from lower alkyl, lower alkenyl, lower alkinyl, mercapto-lower alkyl, hydroxy-lower alkyl, phenyl, cyano, hydrogen, halogen, lower alkoxy, lower alkenyloxy, lower alkinyloxy, mono-, di and trihalogeno-lower alkyl, cycloalkyl having 5 to 7 ring members and phenoxy, and R.sub.3 stands for a member selected from lower alkyl and cycloalkyl having 5 to 7 ring members, and their condensation product with aldehydes and ketones, and their salts are useful as agents for the inhibition of the cardiac .beta.-receptors.

  从以下化合物组中选择的化合物：公式I中的胺基，其中R.sub.1和R.sub.2代表从低碳基，低烯基，具有4到7个环成员的环烷基，苯基-低碳基，苯基-低碳基在苯基残基中被从低碳基，低氧基，卤素和三氟甲基中选择的成员取代，低碳基，氧杂低碳基，氮杂低碳基和硫杂低碳基，且R.sub.1和R.sub.2中的一个代表氢，另一个具有上述含义，Ph代表从间苯撑和对苯撑中选择的成员，以及从低碳基，低烯基，低炔基，巯基-低碳基，羟基-低碳基，苯基，氰基，氢，卤素，低氧基，低烯氧基，低炔氧基，单，二和三卤代低碳基，具有5到7个环成员的环烷基和苯氧基中选择的成员，R.sub.3代表从低碳基和具有5到7个环成员的环烷基中选择的成员，以及它们与醛和酮的缩合物和它们的盐，可用作抑制心脏β-受体的药剂。