2-(羟基甲基)苯甲酰胺 | 33832-98-3

• 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-(羟基甲基)苯甲酰胺
• 中文别名: 2-羟甲基苯甲酰胺
• 英文名称: 2-hydroxymethylbenzamide
• 英文别名: 2-Hydroxymethyl-benzamid；2-(Hydroxymethyl)benzamide
• CAS: 33832-98-3
• 化学式: C₈H₉NO₂
• mdl: MFCD09834506
• 分子量: 151.165
• InChiKey: RULWBFLPUAFFGY-UHFFFAOYSA-N

物化性质

• 熔点：
  140-150 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• 沸点：
  346.1±25.0 °C(Predicted)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-(羟基甲基)苯甲酰胺 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以90%的产率得到1H-苯并[d][1,3]噁嗪-2(4h)-酮
  参考文献：
  名称：

  Synthesis of 1,4-dihydro-benzo[d][1,3]oxazin-2-ones from phthalides via an aminolysis-Hofmann rearrangement protocol

  摘要：

  A simple two-step procedure for the conversion of readily available phthalides to the corresponding benzoxazinones was developed. Initial ring-opening aminolysis to form a primary 2-hydroxymethylbenzamide, followed by reaction with bis(trifluoroacetoxy)iodobenzene (BTI) conveniently, provided a variety of 4-substituted benzoxazinones. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.10.114
• 作为产物：
  描述：

  苯酞 在 三甲基铝 、 氯化铵 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 18.0h， 以78%的产率得到2-(羟基甲基)苯甲酰胺
  参考文献：
  名称：

  Synthesis of 1,4-dihydro-benzo[d][1,3]oxazin-2-ones from phthalides via an aminolysis-Hofmann rearrangement protocol

  摘要：

  A simple two-step procedure for the conversion of readily available phthalides to the corresponding benzoxazinones was developed. Initial ring-opening aminolysis to form a primary 2-hydroxymethylbenzamide, followed by reaction with bis(trifluoroacetoxy)iodobenzene (BTI) conveniently, provided a variety of 4-substituted benzoxazinones. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.10.114

文献信息

• [EN] BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS<br/>[FR] PRO-FRAGMENTS BIORÉVERSIBLES POUR MÉDICAMENTS CONTENANT DE L'AZOTE ET DE L'HYDROXYLE
  申请人：BAIKANG SUZHOU CO LTD

  公开号：WO2015081891A1

  公开（公告）日：2015-06-11

  Disclosed are promoieties of the following formula which can be used to form prodrugs of nitrogen-containing or hydroxyl-containing drug or a pharmaceutically active agent: (I) and pharmaceutical compositions comprising the prodrugs.

  披露了以下公式的促销性质，它们可用于形成含有氮或羟基的药物或药物活性剂的的前药：(I)以及包含这些前药的药物组合物。
• Phthalocyanine dyes
  申请人：LI-COR, Inc.

  公开号：US20040171827A1

  公开（公告）日：2004-09-02

  Fluorescent dyes are disclosed which are useful as reporter groups for labeling biomolecules. The silicon phthalocyanine dyes disclosed are preferably water soluble, isomericly pure, possess high quantum yield, and are useful in bioassays.

  荧光染料被披露，这些染料可作为标记生物分子的报告基团。所披露的硅酞菁染料最好是水溶性的，同分异构体纯净，具有高量子产率，并且在生物分析中很有用。
• [EN] 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS<br/>[FR] DÉRIVÉS DE 1,2,3-TRIAZOLE DESTINÉS À ÊTRE UTILISÉS COMME INHIBITEURS DE LA STÉAROYL-COA DÉSATURASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009060053A1

  公开（公告）日：2009-05-14

  The present invention relates to substituted triazole compounds of the formula (I) and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及公式（I）的取代三唑化合物及其药学上可接受的盐，含有它们的药物组合物以及它们在医学上的应用。具体而言，该发明涉及用于调节SCD活性的化合物。
• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS DE TRIAZOLOPYRIDINE DE LA MYÉLOPEROXYDASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017040450A1

  公开（公告）日：2017-03-09

  The present invention provides compounds of Formula (I): wherein A, Y and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式（I）的化合物：其中A、Y和R1如规范中所定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• Solid support for the synthesis of 3'-amino oligonucleotides
  申请人：PROLIGO LLC

  公开号：US20040220397A1

  公开（公告）日：2004-11-04

  The present invention discloses novel methods and solid supports for the synthesis of 3′-amino oligonucleotides. The novel supports are based on an unsubstituted or ring-substituted hydroxymethylbenzoyl linker element wherein the hydroxymethyl group is esterified to a solid phase bound carboxylic acid and the carbonyl group is linked to an amino alcohol as an amide. Oligonucleotides are conveniently synthesized on the novel supports with no modifications in the standard phosphoramidite synthesis scheme. The ester function of the support is cleaved under the alkaline deprotection conditions for oligonucleotides to provide a free hydroxymethyl group that aids in the release of the 3′-amino oligonucleotide products with a free amino group through neighbor group participation. The free amino group of the oligonucleotides is available for further conjugation reactions to haptens, reporter groups, surfaces or other small molecules or biomolecules. The methods provided are particularly mild, do not require any modifications in standard protocols for the synthesis and deprotection of oligonucleotides, provide the 3′-amino oligonucleotides free of side products and do not introduce chiral centers to the oligonucleotides.

  本发明揭示了合成3'-氨基寡核苷酸的新方法和固体支持物。这些新型支持物基于未取代或取代环的羟甲基苯甲酰连接元素，其中羟甲基基团酯化到固相结合的羧酸上，羰基团与氨基醇连接形成酰胺。寡核苷酸可以方便地在这些新型支持物上合成，而不需要对标准磷酰胺合成方案进行修改。支持物的酯功能在碱性去保护条件下被裂解，释放出一个自由的羟甲基基团，有助于通过邻基团参与来释放具有自由氨基团的3'-氨基寡核苷酸产物。寡核苷酸的自由氨基团可用于进一步与半抗原、报告基团、表面或其他小分子或生物分子进行共轭反应。所提供的方法特别温和，不需要对合成和去保护寡核苷酸的标准方案进行任何修改，提供不带有副产物的3'-氨基寡核苷酸，并且不会向寡核苷酸引入手性中心。