2-氨基-1-(2-甲氧基-5-甲基苯基)-1-丙醇 | 791739-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-1-(2-甲氧基-5-甲基苯基)-1-丙醇
• 英文名称: (-)-erythro-2-amino-1-(2-methoxy-5-methylphenyl)-1-propanol
• 英文别名: 2-Amino-1-(2-methoxy-5-methylphenyl)-1-propanol；2-Amino-1-(2-methoxy-5-methylphenyl)propan-1-ol
• CAS: 791739-17-8
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: TZOQRNSNVWMTCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions
  申请人：Burgos Alain

  公开号：US20070055068A1

  公开（公告）日：2007-03-08

  A process for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes, wherein a metal borohydride, a Lewis base and an inorganic acid ester are brought together and an optically active amino alcohol and optionally a halide are then added. The compound obtained is a complex that is useful as a catalyst in asymmetric reduction reactions. The reaction is performed by adding the substance to be reduced, particularly prochiral ketones or ether oximes, in order to synthesize chiral alcohols or chiral amines.

  一种用于原位制备从氧杂硼烷硼酸盐复合物中衍生的手性化合物的方法，其中将金属硼氢化物、路易斯碱和无机酸酯混合，然后加入手性活性氨基醇和可选的卤化物。所得化合物是一种复合物，可用作不对称还原反应中的催化剂。通过将待还原物质，特别是原始手性酮或醚肟加入以合成手性醇或手性胺来执行反应。
• An asymmetrically modified boron hydride type compound, a production method thereof, and a method for producing an optically active alcohol derivative by the use thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0170350A1

  公开（公告）日：1986-02-05

  An asymmetrically modified borohydride type compound is obtained by reacting an optically active amino alcohol of the formula: ,or its salt with an acid with a borohydride compound. The modified borohydride compound may be used for producing an optically active alcohol derivative which is useful as a fungicide, herbicide or plant growth regulator, which alcohol derivative has the formula: and is obtained by carrying out the asymmetric reduction of the corresponding ketone compound with the asymmetrically modified boron hydride type compound.

  一种不对称改性硼氢化合物是通过将式: 或其盐的光学活性氨基醇与酸和硼氢化合物反应而得到的。 改性硼氢化合物可用于生产光学活性醇衍生物，该衍生物可用作杀真菌剂、除草剂或植物生长调节剂，该醇衍生物的式为: 并通过将相应的酮化合物与不对称改性硼氢化合物进行不对称还原而得到。
• An optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0171175A1

  公开（公告）日：1986-02-12

  An optically active borane complex represented by the general formula, wherein R1 represents an aryl group, R2 represents an alkyl group and a mark * means an asymmetric carbon, is capable of producing optically active alcohol derivatives by the reduction of prochiral ketones with the borane complex. The optically active alcohol derivative is useful for fungicides, herbicides or plant growth regulators.

  由通式表示的光学活性硼烷络合物、 其中 R1 代表芳基，R2 代表烷基，标记 * 表示不对称碳，通过用硼烷络合物还原原手性酮，可生产出光学活性醇衍生物。光学活性醇衍生物可用于杀真菌剂、除草剂或植物生长调节剂。
• A method for producing optically active amines
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0237305A2

  公开（公告）日：1987-09-16

  An optically active amine, which is an important compound as a resolving agent for medicines, agricultural chemicals, intermediates thereof, etc. and has the general formula (III), wherein R₆ and R₇, which are different from each other, represent an aryl group which may be substituted with an alkyl group, an aralkyl group which may be substituted with an alkyl group, or an alkyl group, and * represents an asymmetric carbon atom, is prepared by (a) forming an asymmetric reducing agent by reacting an optically active aminoalcohol represented by the general formula (I), wherein R₁ and R₂ represent a hydrogen atom or an alkyl or alkoxyl group, R₃ represents a hydrogen atom or an alkyl group, R₄ represents an alkyl group, and * is as defined above, with a boron hydride compound and (b) reacting the asymmetric reducing agent thus formed with the anti-form or syn-form isomer of an oxime derivative represented by the general formula (II), wherein R₅ represents an alkyl, aralkyl or alkyl-­substituted silyl group, and R₆ and R₇ are as defined above, or a mixture of the isomers which is rich in either one of them, said optically active amine repre­sented by the general formula (III) having an absolute steric configuration which is the same as that of the amino group-substituted carbon atom in the general formula (I) when the oxime derivative of the general formula (II) is of the anti-form structure or rich in the same and opposite to that of the amino group-­substituted carbon atom in the general formula (I) when the oxime derivative of the general formula (II) is of the syn-form structure or rich in the same.

  一种光学活性胺，它是一种重要的化合物，可用作药物、农药及其中间体等的溶解剂，其通式为(III)、 其中 R₆ 和 R₇ 互不相同，代表可被烷基取代的芳基、可被烷基取代的芳烷基或烷基，且 * 代表不对称碳原子，通过以下方法制备：(a) 与通式 (I) 所代表的光学活性氨基醇反应，形成不对称还原剂；(b) 与通式 (II) 所代表的光学活性氨基醇反应，形成不对称还原剂；(c) 与通式 (II) 所代表的光学活性氨基醇反应，形成不对称还原剂；(d) 与通式 (II) 所代表的光学活性氨基醇反应，形成不对称还原剂、 其中 R₁ 和 R₂ 代表氢原子或烷基或烷氧基，R₃ 代表氢原子或烷基，R₄ 代表烷基，* 如上定义，与氢化硼化合物反应，形成不对称还原剂；以及 (b) 将由此形成的不对称还原剂与通式 (II) 所代表的肟衍生物的反式或同式异构体反应、 其中，R₅ 代表烷基、芳基或烷基取代的硅烷基，R₆ 和 R₇ 如上定义，或者是富含其中任一异构体的混合物、通式(III)代表的光学活性胺，当通式(II)的肟衍生物为反式结构或富含反式结构时，其绝对立体构型与通式(I)中氨基取代的碳原子的绝对立体构型相同，而当通式(II)的肟衍生物为同式结构或富含同式结构时，其绝对立体构型与通式(I)中氨基取代的碳原子的绝对立体构型相反。
• Process for producing optically active amines
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0485069A1

  公开（公告）日：1992-05-13

  Disclosed is a process for producing an optically active amine represented by the formula (IV) wherein R₇ and R₈ each independently denote an alkyl group, aryl group or aralkyl group which said alkyl, aryl or aralky group is optionally substitued, providing that they do not denote the same specific group at the same time, and * indicates an asymmetric carbon atom, which comprises reacting an asymmetric reducing agent obtained from (1) an optically active amine derivative represented by the formula (I) wherein R₁ denotes an alkyl group, aryl group, or aralkyl group; R₂ denotes a hydrogen atom, alkyl group or aralkyl group; R₃ denotes an alkyl group, an aryl group which said alkyl or aryl group is optionally substituted, or a substituent represented by the formula (II) wherein R₄ and R₅ each independently denote a hydrogen atom, alkyl group, aryl group or aralkyl group which said alkyl, aryl or aralkyl group is optionally substituted and * is a defined above, (2) a metal borohydride and (3) sulfuric acid, with either the syn-isomer or the anti-isomer of an oxime derivative represented by the formula (III) or with a mixture rich in either one of the two isomers wherein R₆ denotes an alkyl group, aralkyl group or alkyl-substituted silyl group, and R₇ and R₈ are as defined above. The optically active amine obtained can be used as a resolving agent for preparing medicinal agents, agricultural chemicals, or intermediates thereof.

  本发明公开了一种由式（IV）表示的光学活性胺的生产工艺 其中，R₇ 和 R₈ 各自独立地表示烷基、芳基或芳烷基，所述烷基、芳基或芳烷基可任选地被取代，但它们不能同时表示相同的特定基团，且 * 表示不对称碳原子，该工艺包括使由 (1) 式 (I) 所代表的光学活性胺衍生物得到的不对称还原剂进行反应 其中 R₁ 表示烷基、芳基或芳烷基；R₂ 表示氢原子、烷基或芳烷基；R₃ 表示烷基、芳基（所述烷基或芳基被任选取代）或式 (II) 所代表的取代基 其中，R₄ 和 R₅ 各自独立地表示氢原子、烷基、芳基或芳烷基，其中所述烷基、芳基或芳烷基任选被取代，且 * 如上定义；(2) 金属硼氢化物；(3) 硫酸、 与式 (III) 所代表的肟衍生物的同分异构体或反异构体，或与富含这两种异构体中任何一种的混合物混合 其中 R₆ 表示烷基、芳烷基或烷基取代的硅烷基，R₇ 和 R₈ 如上定义。 得到的光学活性胺可用作制备药剂、农药或其中间体的溶解剂。