N-Boc-4-氨基-3-吡啶甲醛 | 116026-93-8

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: N-Boc-4-氨基-3-吡啶甲醛
• 中文别名: 4-叔丁氧羰氨基-3-吡啶甲醛；N-BOC-4-氨基吡啶-3-甲醛；N-叔丁氧羰基-4-氨基-3-吡啶甲醛
• 英文名称: 4--3-pyridinecarboxaldehyde
• 英文别名: 4-(tert-butoxycarbonylamino)-3-pyridinecarboxaldehyde；tert-butyl (3-formylpyridin-4-yl)carbamate；4-[N-(tert-butyloxycarbonyl)amino]-3-pyridine-carboxaldehyde；(3-formyl-pyridin-4-yl)-carbamic acid tert-butyl ester；(3-formylpyridin-4-yl)-carbamic acid tert-butyl ester；4-tert-butoxycarbonylaminopyridine-3-carboxaldehyde；tert-butyl N-(3-formylpyridin-4-yl)carbamate
• CAS: 116026-93-8
• 化学式: C₁₁H₁₄N₂O₃
• mdl: MFCD01860246
• 分子量: 222.244
• InChiKey: UFWCFTNUYXZYKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: tert-Butyl 3-formylpyridin-4-ylcarbamate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: tert-Butyl 3-formylpyridin-4-ylcarbamate
CAS number: 116026-93-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C11H14N2O3
Molecular weight: 222.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-Boc-4-氨基-3-吡啶甲醛 在 sodium hydroxide 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,6-萘啶-2-羧酸
  参考文献：
  名称：

  Discovery of 1,6-Naphthyridines as a Novel Class of Potent and Selective Human Cytomegalovirus Inhibitors

  摘要：

  DOI：

  10.1021/jm9902483
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 叔丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 2.75h， 生成 N-Boc-4-氨基-3-吡啶甲醛
  参考文献：
  名称：

  环状AMP磷酸二酯酶的抑制剂。3.1,2,3,5-四氢-2-氧代咪唑并[2,1-b]喹唑啉的吡啶基和咪唑基类似物的合成和生物学评估。

  摘要：

  与环状AMP（cAMP）磷酸二酯酶（PDE）抑制剂lixazinone（RS-82856，1）共同的1,2,3,5-四氢-2-氧杂咪唑并[2,1-b]喹唑啉环系统的结构元件杂交具有其他PDE抑制剂强心剂的互补特征的anagrelide（3）促进了标题化合物7a-d，11、12和13a，b的设计和合成。这些化合物的必要特征是在拟议的活性位点模型框架内确定的，用于cGMP（IV型）抑制的cAMP PDE的高亲和力形式。对这些靶点的评估（无论是体外作为血小板或心脏IV型PDE的抑制剂，还是体内作为戊巴比妥麻醉的充血性心力衰竭狗模型中的变力剂），都表明这些结构与母体杂环系统相比具有微不足道的增强活性，并且在所有方面均明显低于1。这种差异归因于不存在1的N-环己基-N-甲基丁酰胺基-4-氧基侧链。有人提出酸性内酰胺型官能团是IV型PDE抑制剂变力剂（如4-6和7）所共有的。参照图8-10，模拟了cA

  DOI：

  10.1021/jm00119a014

文献信息

• [EN] ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS<br/>[FR] HÉTÉROCYCLES D'ARYLMÉTHYLIDÈNE COMME NOUVEAUX ANALGÉSIQUES
  申请人：CHLORION PHARMA INC

  公开号：WO2009097695A1

  公开（公告）日：2009-08-13

  The present invention relates to Arylmethylidene heterocycles, compositions comprising an Arylmethylidene heterocycle, and methods useful for treating or preventing pain comprising administering an effective amount of an Arylmethylidene heterocycle as depicted by the formula (Ia).The compounds, compositions, and methods of the invention are also useful for treating or preventing inflammation.

  本发明涉及芳基甲基亚甲基杂环化合物，包括含有芳基甲基亚甲基杂环化合物的组合物，以及用于治疗或预防疼痛的方法，包括给予如公式(Ia)所示的芳基甲基亚甲基杂环化合物的有效量。该发明的化合物、组合物和方法也适用于治疗或预防炎症。
• A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis
  作者：Jason Siu、Ian R. Baxendale、Russell A. Lewthwaite、Steven V. Ley

  DOI：10.1039/b503778f

  日期：——

  In this paper we wish to report on a variety of expedient chemical transformations and purifications achieved via a generic ‘catch and release’ methodology, based on a synthetically inert bipyridyl chelating tag that can be selectively captured with a resin-bound copper(II) species. Utilising this approach we are able to derive many of the same benefits associated with both solid phase synthesis and supported reagent methods.

  本文旨在报道通过一种基于合成不活跃的双吡啶螯合标签的通用“捕获与释放”方法，实现的一系列便捷的化学转化和纯化。该方法可以选择性地利用树脂结合的铜(II)物种来捕获双吡啶螯合标签。采用这种方法，我们能够获得与固相合成和支持试剂法相关的许多相同益处。
• [DE] SUBSTITUIERTE AZACHINAZOLINE MIT ANTIVIRALER WIRKUNG<br/>[EN] SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION<br/>[FR] AZACHINAZOLINES SUBSTITUEES A ACTION ANTIVIRALE
  申请人：BAYER HEALTHCARE AG

  公开号：WO2005113552A1

  公开（公告）日：2005-12-01

  Die Erfindung betrifft substituierte Azachinazoline und Verfahren zu ihrer Herstellung sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten, insbesondere zur Verwendung als antivirale Mittel, insbesondere gegen Cytomegaloviren.

  这项发明涉及取代的氮杂喹唑啉和其制备方法，以及它们用于制备用于治疗和/或预防疾病的药物的用途，特别是作为抗病毒药物的用途，特别是针对巨细胞病毒。
• Methods for detecting nucleic acid variations
  申请人：Delgrosso Kathleen

  公开号：US20070111204A1

  公开（公告）日：2007-05-17

  The invention provides methods and diagnostic test kits for detecting target nucleic acid sequence variations in a sample. In particular, a plurality of oligonucleotide probe sets is provided. Each set has a target specific portion and a barcode. The target specific portions of the probes are suitable for ligation together when hybridized adjacent to one another on a corresponding target polynucleotide. The ligated product contains a barcode that binds to a probe attached to a substrate and hence facilitate the capture of the ligated product on the solid support. Detection is carried out with a gold nanoparticle-attached barcode that hybridizes with the barcode on the ligated product.

  该发明提供了一种用于检测样本中目标核酸序列变异的方法和诊断试剂盒。具体来说，提供了多个寡核苷酸探针组。每个组具有一个目标特异部分和一个条形码。当探针的目标特异部分在相应的目标多核苷酸上相邻杂交时，这些探针的目标特异部分适合进行连接。连接的产物包含一个与基质上附着的探针结合的条形码，从而有助于在固体支持上捕获连接的产物。检测是通过与连接的产物上的条形码杂交的金纳米颗粒附着的条形码进行的。
• Bicyclic heterocycles as cannabinoid receptor modulators
  申请人：Sun Chongqing

  公开号：US20060154956A1

  公开（公告）日：2006-07-13

  The present application describes compounds according to Formula I, pharmaceutical compositions comprising at least one compound according to Formula I and optionally one or more additional therapeutic agents and methods of treatment using the compounds according to Formula I both alone and in combination with one or more additional therapeutic agents. The compounds have the general Formula I: including all prodrugs, pharmaceutically acceptable salts and stereoisomers, R 1 , R 2 , R 3 , R 3a , R 4 , A, B, b, n, W, X, Y and Z are described herein.

  本申请描述了符合公式I的化合物，包括至少一种符合公式I的化合物和可选地一种或多种额外治疗剂组成的药物组合物，以及使用符合公式I的化合物进行治疗的方法，包括单独使用和与一种或多种额外治疗剂组合使用。这些化合物的一般公式I如下所示：包括所有前药、药用盐和立体异构体，本文描述了R1、R2、R3、R3a、R4、A、B、b、n、W、X、Y和Z。