2-Propanol, 1-amino-3-(3,5-dimethylphenoxy)-, hydrochloride | 110493-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Propanol, 1-amino-3-(3,5-dimethylphenoxy)-, hydrochloride
• 英文别名: 1-amino-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
• CAS: 110493-27-1
• 化学式: C11H18ClNO2
• 分子量: 231.72
• InChiKey: KMLJFMOWQYTITC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  15
• 可旋转键数：
  4
• 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：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 potassium carbonate 、 2-Propanol, 1-amino-3-(3,5-dimethylphenoxy)-, hydrochloride 、 氯甲酸乙酯 、 盐酸 在 甲苯 、 水 作用下， 以 水 、 甲苯 为溶剂， 反应 18.0h， 生成 美他沙酮
  参考文献：
  名称：

  Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone

  摘要：

  公式（1）的实质纯5-（3,5-二甲基苯氧基）甲基-2-噁唑烷酮通过一种新颖的方法制备，该方法包括将公式（2）的化合物3-（3,5-二甲基苯氧基）-2-羟基丙胺或其酸加成盐与公式（3）（YCOZ）的化合物反应，其中Y和Z从X，CC13CO，1-咪唑基或取代咪唑基和OR中选择;其中X是卤素，优选是氯，R从取代或未取代的线性，支链或环状烷基和芳基或杂环芳基中选择。通过将2-（【3,5-二甲基苯氧基】甲基）环氧乙烷处理氨，制备出公式（2）的化合物，并通过转化为其酸加成盐来可选地纯化公式（2）的化合物。

  公开号：

  US20050075505A1

文献信息

• [EN] NOVEL PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE<br/>[FR] PROCEDE RELATIF A L'ELABORATION DE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE SENSIBLEMENT PURE
  申请人：SUN PHARMACEUTICAL IND LTD

  公开号：WO2003061552A2

  公开（公告）日：2003-07-31

  Substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone, a compound of formula (1), is prepared by a novel route, which comprises reacting 3-(3,5-dimethylphenoxy)-2-hydroxypropylamine, a compound of formula (2), or its acid addition salt with a compound of formula (3) (YCOZ) wherein Y and Z are selected from X, CCl3CO, 1-imidazolyl or substituted imidazolyl, and OR; wherein X is a halide, preferably chloride, and R is selected from substituted or unsubstituted linear, branched or cyclic alkyl and aryl or heteroaryl radicals. The compound of formula (2) is prepared by treating 2-[(3,5-Dimethylphenoxy)methyl]oxirane with ammonia to yield compound of formula (2), and optionally purifying compound of formula (2) by converting to its acid addition salt.
• Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone
  申请人：Gandhi Jaiprakash Biren

  公开号：US20050075505A1

  公开（公告）日：2005-04-07

  Substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone, a compound of formula (1), is prepared by a novel route, which comprises reacting 3-(3,5-dimethylphenoxy)-2-hydroxypropylamine, a compound of formula (2), or its acid addition salt with a compound of formula (3) (YCOZ) wherein Y and Z are selected from X, CC13CO, 1-imidazolyl or substituted imidazolyl, and OR; wherein X is a halide, preferably chloride, and R is selected from substituted or unsubstituted linear, branched or cyclic alkyl and aryl or heteroaryl radicals. The compound of formula (2) is prepared by treating 2-[(3,5-Dimethylphenoxy)methyl]oxirane with ammonia to yield compound of formula (2), and optionally purifying compound of formula (2) by converting to its acid addition salt.

  化合物5-(3,5-二甲基苯氧基)甲基-2-噁唑烷酮（式（1））的高纯度制备方法，包括将式（2）化合物3-(3,5-二甲基苯氧基)-2-羟基丙胺或其酸加成盐与式（3）化合物YCOZ反应，其中Y和Z从X，CC13CO，1-咪唑基或取代的咪唑基和OR中选择，其中X是卤素，优选氯，R选择取代或未取代的线性、支链或环烷基和芳基或杂环芳基基团。式（2）化合物的制备方法是将2-[(3,5-二甲基苯氧基)甲基]环氧烷与氨反应得到式（2）化合物，可选择通过转化为其酸加成盐来纯化式（2）化合物。