N-Boc-O-2,4,6-三甲基苯磺酰羟胺 | 36016-39-4

• 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: N-Boc-O-2,4,6-三甲基苯磺酰羟胺
• 中文别名: 叔丁基N-(均三甲苯磺酰氧基)-氨基甲酸酯；N-叔丁氧基羰基-o-(异丙叉磺酰基)羟胺；N-BOC-O-(2,4,6-三甲基苯磺酰基)羟胺
• 英文名称: N-(tert-butoxycarbonyl)-O-(mesitylsulfonyl)hydroxylamine
• 英文别名: tert-butyl ((mesitylsulfonyl)oxy)carbamate；(tert-butoxycarbonylamino) 2,4,6-trimethylbenzenesulfonate；tert-butyl ((mesitylsulfonyl)oxy)-λ2-azanecarboxylate；tert-butyl N-(mesitylsulfonyloxy)carbamate；N-Boc-O-(mesitylsulfonyl)hydroxylamine；tert-butyl N-((2,4,6-trimethylbenzenesulfonyl)oxy)carbamate；N-Boc-O-(2,4,6-trimethylbenzenesulfonyl)hydroxylamine；tert-Butyl (mesitylsulfonyl)oxycarbamate；[(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
• CAS: 36016-39-4
• 化学式: C₁₄H₂₁NO₅S
• 分子量: 315.39
• InChiKey: WVMDSNGINQNHLN-UHFFFAOYSA-N

物化性质

• 熔点：
  104-105.5 °C
• 密度：
  1.191±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2924299090
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-tert-Butoxycarbonyl-o-(mesitylsulfonyl)hydroxylamine
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: N-tert-Butoxycarbonyl-o-(mesitylsulfonyl)hydroxylamine
CAS number: 36016-39-4

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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, under −20◦C.
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: C14H21NO5S
Molecular weight: 315.4

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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, sulfur 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-O-2,4,6-三甲基苯磺酰羟胺 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.17h， 生成 1,2-diamino-3-chloro-pyrazinium mesitylenate
  参考文献：
  名称：

  [EN] TRIAZOLOPYRAZINE DERIVATIVES
  [FR] DÉRIVÉS TRIAZOLOPYRAZINE

  摘要：

  具有公式I的化合物，在其中R1和R2具有权利要求1中指示的含义，是Syk的抑制剂，可以用于治疗风湿性关节炎。

  公开号：

  WO2012025186A1
• 作为产物：
  描述：

  均三甲苯 在 氯磺酸 、 三乙胺 作用下， 以 甲基叔丁基醚 、 氯仿 为溶剂， 反应 3.0h， 生成 N-Boc-O-2,4,6-三甲基苯磺酰羟胺
  参考文献：
  名称：

  [EN] N-(4-FLUOROPHENYL)-5-PHENYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR SYNTHESIS THEREOF
  [FR] DÉRIVÉS DE N-(4-FLUOROPHÉNYL)-5-PHÉNYL-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-2-CARBOXAMIDE ET LEUR SYNTHÈSE

  摘要：

  本发明涉及开发新型N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物，用于其不同的药理活性。特别涉及开发N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物作为抗病毒、抗癌、抗真菌、降糖、抗结核、镇静和抗2型糖尿病活性。具体涉及N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物用于治疗H37Rv和多药耐药(MDR)分枝杆菌结核杆菌(MTB)的方法。本发明还涉及N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物的合成方法。该发明还涉及治疗结核病、2型糖尿病、细菌、病毒和真菌感染的治疗方法。该发明通过发明新的反应方法论来解决化学过程和产品的挑战，最大程度地提高所需产品的产量，减少副产物，设计新的合成方案，简化化学生产操作，并寻找对环境和生态无害的无毒试剂。利用合成新型N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物来开发新的合成方法和其药理应用。设计合成了新系列N-(4-氟苯基)-5-苯基-[1,2,4]三唑并[1,5-a]吡啶-2-羧酰胺衍生物并评估了它们对H37Rv和多药耐药(MDR)分枝杆菌结核杆菌(MTB)的体外抗分枝杆菌活性。所有合成的化合物均通过质谱、核磁共振和元素分析等光谱方法进行表征。

  公开号：

  WO2021161084A1
• 作为试剂：
  描述：

  2-氨基-5-氯苯乙酮 在 N-Boc-O-2,4,6-三甲基苯磺酰羟胺 作用下， 以86 %的产率得到5-氯-3-甲基-1H-吲唑
  参考文献：
  名称：

  A Scalable and Metal-Free Synthesis of Indazoles from 2-Aminophenones and In Situ Generated De-Boc-Protected O-Mesitylsulfonyl Hydroxylamine Derivatives

  摘要：

  DOI：

  10.1021/acs.joc.3c01211

文献信息

• [EN] HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV<br/>[FR] COMPOSÉS HÉTÉROAROMATIQUES AYANT UNE ACTIVITÉ CONTRE VRS
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2019206828A1

  公开（公告）日：2019-10-31

  The invention concerns compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns pharmaceutical compositions comprising these compounds and the compounds for use in the treatment of respiratory syncytial virus infection.

  这项发明涉及具有抗病毒活性的式(I)化合物，特别是对呼吸道合胞病毒(RSV)复制具有抑制活性的化合物。该发明还涉及包含这些化合物的药物组合物，以及用于治疗呼吸道合胞病毒感染的化合物。
• [EN] SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROARYLE SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2019099311A1

  公开（公告）日：2019-05-23

  The present invention provides novel heteroaryl compounds, pharmaceutical acceptable salts and formulations thereof. They are useful in preventing, managing, treating or lessening the severity of a protein kinase-mediated disease. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of protein kinase-mediated disease.

  本发明提供了新颖的杂环芳基化合物，其药用盐和制剂。它们在预防、管理、治疗或减轻蛋白激酶介导的疾病的严重程度方面是有用的。该发明还提供了包括这些化合物的药用组合物以及使用这些组合物治疗蛋白激酶介导的疾病的方法。
• [EN] 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES DE TYPE 3-(1H-PYRAZOL-4-YL)PYRIDINE DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2019005588A1

  公开（公告）日：2019-01-03

  The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及吡唑并[4,3-b]吡啶化合物，其为M4毒蕈碱型乙酰胆碱受体的变构调节剂。本发明还涉及在可能治疗或预防神经和精神障碍以及涉及M4毒蕈碱型乙酰胆碱受体的疾病中使用所述化合物。本发明还涉及包含这些化合物的组合物。本发明还涉及在可能预防或治疗涉及M4毒蕈碱型乙酰胆碱受体的疾病中使用这些组合物。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071447A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIDINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071454A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I: (I) or pharmaceutically acceptable salt or solvate thereof, wherein A, B, X1, X2, X3, X4, Ring D, E, Ra, Rb, n and m have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文提供了Formula I的化合物：(I)或其药用可接受的盐或溶剂，其中A、B、X1、X2、X3、X4、环D、E、Ra、Rb、n和m的含义如规范中所述，它们是RET激酶的抑制剂，并且在治疗和预防可以用RET激酶抑制剂治疗的疾病中非常有用，包括与RET相关的疾病和紊乱。

表征谱图