(3-氨基-5-氯苯基)甲醇 | 79944-63-1

• 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: (3-氨基-5-氯苯基)甲醇
• 中文别名: 3-氨基-5-氯苄醇
• 英文名称: 3-amino-5-chlorobenzyl alcohol
• 英文别名: 3-amino-5-chloro-benzenemethanol；5-amino-3-chlorobenzyl alcohol；(3-Amino-5-chlorophenyl)methanol
• CAS: 79944-63-1
• 化学式: C₇H₈ClNO
• 分子量: 157.6
• InChiKey: JXTKFWIYCRWWJD-UHFFFAOYSA-N

物化性质

• 沸点：
  329.5±27.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (3-氨基-5-氯苯基)甲醇 在 manganese(IV) oxide 、 tetrafluoroboric acid 、 sodium nitrite 作用下， 以 苯 为溶剂， 反应 24.0h， 生成 3-氯-5-氟苯甲醛
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005
• 作为产物：
  描述：

  3-氨基-5-硝基苯甲醇 在 盐酸 、 亚硝酸 、 铁粉 、 copper(l) chloride 、 copper dichloride 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (3-氨基-5-氯苯基)甲醇
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005

文献信息

• [EN] QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER<br/>[FR] DERIVES DE QUINAZOLINE A UTILISER CONTRE LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2006040526A1

  公开（公告）日：2006-04-20

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R1, q, R2, R3, R4, R5, Ring A, X1, R6, r and R7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  本发明涉及式(I)喹唑啉衍生物或其药物可接受的盐、溶剂化物或前药，其中p、R1、q、R2、R3、R4、R5、环A、X1、R6、r和R7各自具有说明书中定义的任何含义；其制备方法、含有它们的药物组合物以及它们在制造用于治疗细胞增殖障碍或治疗与血管生成和/或血管通透性相关的疾病状态的药物中的应用。
• New amidino derivatives and their use as thormbin inhibitors
  申请人：——

  公开号：US20020068730A1

  公开（公告）日：2002-06-06

  There is provided compounds of formula I, 1 wherein Y and R 1 have meanings given in the description, and pharmaceutically acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了化合物I，其中Y和R1的含义如描述中所述，并且其药学上可接受的衍生物（包括前药），这些化合物和衍生物在竞争性蛋白酶酶类（如凝血酶）的抑制剂方面具有用处，因此特别适用于治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。
• Quinazoline derivatives for use against cancer
  申请人：Ple Patrick

  公开号：US20090036474A1

  公开（公告）日：2009-02-05

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R 1 , q, R 2 , R 3 , R 4 , R 5 , Ring A, X 1 , R 6 , r and R 7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  该发明涉及式（I）的喹唑啉衍生物或其药学上可接受的盐、溶剂或前药，其中p、R1、q、R2、R3、R4、R5、环A、X1、R6、r和R7中的每一个具有描述中定义的任何含义；它们的制备过程、含有它们的制药组合物以及它们在制造用于治疗细胞增殖性疾病或与血管生成和/或血管通透性相关的疾病状态的药物中的使用。
• CONTINUOUS BIOTRANSFORMATION OF SUBSTITUTED AROMATIC CARBOXYLIC ACIDS TO THEIR SELECTIVE ALDEHYDES AND ALCOHOLS
  申请人：PRIVI BIOTECHNOLOGIES PRIVATE LIMITED

  公开号：US20150252397A1

  公开（公告）日：2015-09-10

  The present invention discloses a novel method for biological reduction of the carboxylic acids to their corresponding aldehydes and/or alcohols with high productivity and high yield by using fungus in the category of basidiomycetes. This reduction is specific and selective for its functional group (—COOH), without affecting other functional group such as—R groups (—OH, —NH2, -alkyl, -alkyoxy) and their position, number on aromatic ring. The method of the invention relates to reduction of aryl acids to aldehyde and/or alcohols by employing a white rot fungus— Pycnoporus cinnabarinus , an organism of basidiomycete species, grown in vessel/column. The biotransformation was performed in vessel/column/fermentor with pH control, dissolved oxygen, membrane system, product extractor is attached.

  本发明揭示了一种新的生物还原羧酸为相应的醛和/或醇的方法，该方法利用属于担子菌类真菌的真菌具有高产量和高收率。该还原对其官能团（-COOH）具有特异性和选择性，不会影响其他官能团，例如-R基团（-OH，-NH2，-烷基，-烷氧基）及其在芳香环上的位置和数量。本发明的方法涉及使用白腐菌-Pycnoporus cinnabarinus将芳基酸还原为醛和/或醇，该真菌属于担子菌物种，生长在容器/柱中。生物转化在具有pH控制，溶解氧，膜系统和附加产品提取器的容器/柱/发酵罐中进行。
• Continuous biotransformation of substituted aromatic carboxylic acids to their selective aldehydes and alcohols
  申请人：PRIVI BIOTECHNOLOGIES PRIVATE LIMITED

  公开号：US10017797B2

  公开（公告）日：2018-07-10

  The present invention discloses a novel method for biological reduction of the carboxylic acids to their corresponding aldehydes and/or alcohols with high productivity and high yield by using fungus in the category of basidiomycetes. This reduction is specific and selective for its functional group (—COOH), without affecting other functional group such as—R groups (—OH, —NH2, -alkyl, -alkyoxy) and their position, number on aromatic ring. The method of the invention relates to reduction of aryl acids to aldehyde and/or alcohols by employing a white rot fungus—Pycnoporus cinnabarinus, an organism of basidiomycete species, grown in vessel/column. The biotransformation was performed in vessel/column/fermentor with pH control, dissolved oxygen, membrane system, product extractor is attached.

  本发明公开了一种利用基枝真菌将羧酸生物还原为相应的醛和/或醇的新方法，该方法具有高生产率和高产率。这种还原对其官能团（-COOH）具有特异性和选择性，而不影响其他官能团，如-R 基团（-OH、-NH2、-烷基、-烷氧基）及其在芳香环上的位置和数量。本发明的方法涉及通过使用一种生长在容器/柱中的白腐真菌-Pycnoporus cinnabarinus（一种基枝霉菌），将芳基酸还原成醛和/或醇。生物转化在容器/柱/发酵罐中进行，带有 pH 值控制、溶解氧、膜系统和产品萃取器。