(S)-2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid | 866034-01-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid
• 英文别名: 2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid；2-Acetylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid；2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
• CAS: 866034-01-7
• 化学式: C₁₀H₁₂N₂O₃S
• 分子量: 240.283
• InChiKey: OTLJUTZKDDNQQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid 在 (S)-(-)- α-甲基苄胺 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以99.5%的产率得到
  参考文献：
  名称：

  [EN] INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE
  [FR] INTERMEDIAIRES POUR LA PREPARATION DE PRAMIPEXOLE

  摘要：

  公开号：

  WO2005092871A3
• 作为产物：
  描述：

  2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid ethyl ester 在 sodium hydroxide 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 3.0h， 生成 (S)-2-acetylamino-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid
  参考文献：
  名称：

  [EN] INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE
  [FR] INTERMEDIAIRES POUR LA PREPARATION DE PRAMIPEXOLE

  摘要：

  公开号：

  WO2005092871A3

文献信息

• Synthesis of intermediates for the preparation of pramipexol
  申请人：Dipharma Francis S.r.l.

  公开号：EP1808492A1

  公开（公告）日：2007-07-18

  A process for the preparation of an acid of formula (I), as the individual (R) enantiomer or (S), or a salt thereof wherein R is a protected amino group; and the asterisk * denotes the stereogenic carbon atom, comprising contacting an ester of formula (II), as mixture of (R,S) enantiomers, or a salt thereof, wherein R1 is straight or branched C1-C6 alkyl, optionally substituted with phenyl; and the asterisk * and R have the meanings defined above, with a lipase from Candida antarctica, under conditions effective to obtain a mixture comprising an acid of formula (I), as the individual (R) enantiomer, and an ester of formula (II), as the individual (S) enantiomer; the subsequent hydrolysis of the latter to obtain an acid of formula (I), as the individual (S) enantiomer; and, if desired, the conversion of an acid of formula (I), either as the (R) or (S) enantiomer, to a salt thereof.

  一种制备公式（I）的酸的过程，作为个体（R）对映体或（S）或其盐，其中R是保护的氨基基团; 星号*表示立体异构碳原子，包括将公式（II）的酯与Candida antarctica的脂肪酶接触，以有效条件获得混合物，其中包括公式（I）的酸作为个体（R）对映体和公式（II）的酯作为个体（S）对映体; 随后水解后者以获得公式（I）的酸作为个体（S）对映体; 如果需要，将公式（I）的酸转化为其盐，无论是（R）或（S）对映体。
• Intermediates for the preparation of pramipexole
  申请人：Castaldi Graziano

  公开号：US20070191439A1

  公开（公告）日：2007-08-16

  Intermediates useful for the preparation of pramipexole and the use thereof in such synthesis.

  中间体对于普拉米普索尔的制备有用，并且在此合成中的使用。
• PROCESS FOR THE PREPARATION OF (R)-PRAMIPEXOLE
  申请人：ALLEGRINI Pietro

  公开号：US20120253047A1

  公开（公告）日：2012-10-04

  The invention relates to a novel process for the preparation of (R)-2-amino-6-n-propylamino-4,5,6,7-tetrahydrobenzothiazole, or a salt thereof.

  本发明涉及一种制备(R)-2-氨基-6-n-丙基氨基-4,5,6,7-四氢苯并噻唑或其盐的新工艺。
• INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE
  申请人：CASTALDI Graziano

  公开号：US20100222595A1

  公开（公告）日：2010-09-02

  Intermediates useful for the preparation of pramipexole and the use thereof in such synthesis.

  中间体对普拉米普索尔的制备有用，并可用于该合成中的使用。
• SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOL
  申请人：RIVA Sergio

  公开号：US20070166814A1

  公开（公告）日：2007-07-19

  A process for the preparation of an acid of formula (I), as the individual (R) enantiomer or (S), or a salt thereof wherein R is a protected amino group; and the asterisk * denotes the stereogenic carbon atom, comprising contacting an ester of formula (II), as mixture of (R, S) enantiomers, or a salt thereof, wherein R 1 is straight or branched C 1 -C 6 alkyl, optionally substituted with phenyl; the asterisk * and R defined above), with a lipase from Candida antarctica , under conditions effective to obtain a mixture comprising an acid of formula (I), as the individual (R) enantiomer, and an ester of formula (II), as the individual (S) enantiomer; the subsequent hydrolysis of the latter to obtain an acid of formula (I), as the individual (S) enantiomer; and, if desired, the conversion of an acid of formula (I), either as the (R) or (S) enantiomer, to a salt thereof.