苯甲酰氯,4-(4-吗啉基甲基)-,盐酸 | 106261-63-6

• 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: 苯甲酰氯,4-(4-吗啉基甲基)-,盐酸
• 英文名称: 4-morpholin-4-yl-methyl-benzoyl chloride hydrochloride
• 英文别名: 4-(morpholinomethyl)benzoyl chloride hydrochloride；α-morpholinoparatoluic acid chloride, hydrochloride；4-(Morpholin-4-ylmethyl)benzoyl chloride;hydrochloride
• CAS: 106261-63-6
• 化学式: C₁₂H₁₄ClNO₂*ClH
• 分子量: 276.163
• InChiKey: YMCUVGYHJGWOEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯甲酰氯,4-(4-吗啉基甲基)-,盐酸 、 胞苷 在 吡啶 、 ammonium hydroxide 、 三甲基氯硅烷 作用下， 生成 胞苷,N-[4-(4-吗啉基甲基)苯甲酰]-
  参考文献：
  名称：

  Solid phase synthesis of neutral oligonucleotide analogues

  摘要：

  The combination of an anchor for solid phase synthesis which allows release of fully protected oligonucleotide analogues from the solid support and base protective groups which provide water solubility has been shown to facilitate isolation, purification, and characterization of neutral oligonucleotide analogues derived from morpholine nucleosides.

  DOI：

  10.1016/0040-4039(91)80113-k
• 作为产物：
  描述：

  4-(4-甲基吗啉)苯甲酸 在 氯化亚砜 作用下， 生成 苯甲酰氯,4-(4-吗啉基甲基)-,盐酸
  参考文献：
  名称：

  Solid phase synthesis of neutral oligonucleotide analogues

  摘要：

  The combination of an anchor for solid phase synthesis which allows release of fully protected oligonucleotide analogues from the solid support and base protective groups which provide water solubility has been shown to facilitate isolation, purification, and characterization of neutral oligonucleotide analogues derived from morpholine nucleosides.

  DOI：

  10.1016/0040-4039(91)80113-k

文献信息

• Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity
  申请人：Vial Henri

  公开号：US06972343B1

  公开（公告）日：2005-12-06

  The invention concerns drug precursors with antimalarial effect, characterised in that it consists in quaternary bis-ammonium salts of general formula (I) wherein A and A′, identical or different, are respectively either a group A1 and A′1 of formula (1) wherein n=2 to 4; R′1 is hydrogen, C1-C5 alkyl, optionally substituted by an aryl, a hydroxy, an alkoxy, wherein the alkyl comprises 1 to 5 C, or aryloxy and W is halogen or a nucleofuge group; or a group A2 which represents formyl-CHO, or acetyl-COCH3. B and B′, identical or different, represent respectively either the group B1 and B′1, if A and A′ respectively represent A1, A′1, B1, B′1 representing a group R1 which has the same definition as R′1 above, but cannot be a hydrogen atom; or respectively the groups B2 and B′2, if A and A′ represent A2, B2 or B′2 being the group R1 as defined above, or a group of formula (2) wherein —Ra is RS— or RCO—, wherein R is a C1-C6 alkyl, substituted if required, a phenyl or benzyl, wherein the phenyl is substituted if required, the latter being optionally substituted; R2 is hydrogen, C1-C5 alkyl, or a —CH2-COO— (C1-C5)alkyl group; and R3 is hydrogen, C1-C5 alkyl or alkenyl, substituted if required, a phosphate, an alkoxy wherein the alkyl is a C1-C3 alkyl, or aryloxy; or an alkyl (or arylcarbonyloxy; or R2 and R3 form together a cycle with 5 or 6 C; R and R3 can be bound to form a cycle. ± represents: either a single bond when A and A′ represent A1 and A′1: or when A and A′ represent A2, and B2 and B′2 Represent (3) either, when A and A′ are —CHO or —COCH3 and B2 and B′2 are R1, a group of formula (4) or a group of formula (5) wherein (a) represents a bond towards Z and (b) a bond towards the nitrogen atom. Z is a C9-C21 alkyl, if required with insertion of one or several bonds, and/or one or several heteroatoms O and/or S and/or several aromatic cycles, and the pharmaceutically acceptable salts of said compounds. Said precursors and cyclized thiazolium derivatives are useful as antiparasitic medicines in particular antimalarial and antibabesiosis.

  该发明涉及具有抗疟疾作用的药物前体，其特征在于它由通式(I)的季铵双盐组成，其中A和A′，相同或不同，分别是通式(1)的A1和A′1基团，其中n=2至4；R′1是氢，C1-C5烷基，可选地被芳基、羟基、烷氧基（其中烷基包括1至5个碳）、芳氧基取代，W是卤素或亲核离去基；或者是代表甲酰基-CHO或乙酰基-COCH3的A2基团。B和B′，相同或不同，分别代表A和A′分别表示A1、A′1、B1、B′1的情况下的B1和B′1基团，其中B1、B′1代表与上述R′1相同定义的R1基团，但不能是氢原子；或者分别代表A和A′表示A2的情况下的B2和B′2基团，其中B2或B′2是如上定义的R1基团，或者是通式(2)的基团，其中-Ra是RS-或RCO-，其中R是C1-C6烷基，必要时取代，苯基或苄基，其中苯基在必要时取代，后者是可选地取代的；R2是氢、C1-C5烷基，或者是—CH2-COO-(C1-C5)烷基；R3是氢、C1-C5烷基或烯烃基，必要时取代，磷酸酯、烷氧基（其中烷基是C1-C3烷基）或芳氧基；或者是烷基（或芳基羰基氧基；或者R2和R3共同形成一个含有5或6个碳的环；R和R3可以结合形成一个环。±表示：当A和A′表示A1和A′1时，是单键；或者当A和A′表示A2，B2和B′2表示(3)时，当A和A′为—CHO或—COCH3，B2和B′2为R1时，是通式(4)的基团或通式(5)的基团，其中(a)表示朝向Z的键，(b)表示朝向氮原子的键。Z是C9-C21烷基，必要时插入一个或多个键，和/或一个或多个杂原子O和/或S，和/或几个芳香环，以及所述化合物的药学上可接受的盐。所述前体和环化噻唑衍生物作为抗寄生虫药物，特别是抗疟疾和抗巴贝斯病的药物是有用的。
• Hydrazinocarbonyl-thieno[2,3-C]pyrazoles, Process for Preparing Them, Compositions Containing Them and Use Thereof
  申请人：BARBERIS Claude

  公开号：US20080146542A1

  公开（公告）日：2008-06-19

  The present invention concerns hydrazinocarbonyl-thieno[2,3- c ]pyrazoles of formula (I): wherein R1, R3, R4, are R5 are as defined in the disclosure; their preparation method, compositions containing the same and their use for the treatment of pathological conditions, in particular as anticancer agents.

  本发明涉及式(I)的联氮甲酰基噻吩[2,3-c]吡唑，其中R1、R3、R4和R5如本公开中所定义；它们的制备方法，含有它们的组合物以及它们用于治疗病理状况，特别是作为抗癌药物的用途。
• Hydrazinocarbonyl-thieno[2,3-C]pyrazoles, process for preparing them, compositions containing them and use thereof
  申请人：Aventis Pharma S.A.

  公开号：US07595320B2

  公开（公告）日：2009-09-29

  The present invention concerns hydrazinocarbonyl-thieno[2,3-c]pyrazoles of formula (I): wherein R1, R3, R4, are R5 are as defined in the disclosure; their preparation method, compositions containing the same and their use for the treatment of pathological conditions, in particular as anticancer agents.

  本发明涉及式(I)的肼氨基羰基噻吩[2,3-c]吡唑，其中R1、R3、R4、R5如本文所定义；它们的制备方法，含有它们的组合物以及它们作为治疗病理条件的用途，特别是作为抗癌剂。
• Benzothiazine dioxide derivatives
  申请人：PFIZER INC.

  公开号：EP0208404B1

  公开（公告）日：1990-08-29
• NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS
  申请人：Bundgaard, Hans

  公开号：EP0454773A1

  公开（公告）日：1991-11-06