N-Boc-5-羟基吲哚 | 434958-85-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吲哚类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: N-Boc-5-羟基吲哚
• 中文别名: 5-羟基吲哚-1-羧酸叔丁酯；N-BOC-5-羟基；5-羟基-N-Boc吲哚
• 英文名称: tert-butyl 5-hydroxy-1H-indole-1-carboxylate
• 英文别名: tert‐butyl 5‐hydroxy‐1H‐indole‐1‐carboxylate；N-Boc-5-Hydroxyindole；tert-butyl 5-hydroxyindole-1-carboxylate
• CAS: 434958-85-7
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: BYFYKCHJFIWCPC-UHFFFAOYSA-N

物化性质

• 沸点：
  374.5±34.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Boc-5-hydroxyindole
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-Boc-5-hydroxyindole
CAS number: 434958-85-7

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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: C13H15NO3
Molecular weight: 233.3

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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-5-羟基吲哚 在 三乙胺 、 三氯氧磷 作用下， 以 乙醚 为溶剂， 生成 5-dichlorophosphinyloxy-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester
  参考文献：
  名称：

  Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection

  摘要：

  本发明提供了结构式（I）的核苷酸芳基磷酰胺酯，这些化合物是RNA依赖性RNA病毒聚合酶抑制剂的前体。这些化合物是RNA依赖性RNA病毒复制抑制剂的前体，对于治疗RNA依赖性RNA病毒感染非常有用。它们特别适用作为乙型肝炎病毒（HCV）NS5B聚合酶抑制剂的前体，作为HCV复制抑制剂的前体，和/或用于治疗乙型肝炎感染。本发明还描述了含有这种核苷酸芳基磷酰胺酯的药物组合物，单独或与其他针对RNA依赖性RNA病毒感染，特别是HCV感染的药剂结合使用。还公开了使用本发明的核苷酸芳基磷酰胺酯来抑制RNA依赖性RNA聚合酶、抑制RNA依赖性RNA病毒复制和/或治疗RNA依赖性RNA病毒感染的方法。

  公开号：

  US20100234316A1
• 作为产物：
  描述：

  N-叔丁氧羰基-5-溴吲哚 在 copper(l) iodide 、 N1-(4-Methoxybenzyl)-N2-(2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)oxalamide 、 caesium carbonate 、 苯甲醛肟 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 生成 N-Boc-5-羟基吲哚
  参考文献：
  名称：

  轻度铜催化羟基化反应发展的试剂设计和配体演化

  摘要：

  模块化配体库的并行合成和质量导向纯化，高通量实验和合理的配体演化，已经导致了一种新型的铜催化剂，可用于合成具有无痕氢氧化物的苯酚。此处报道的温和的反应条件使许多复杂的类药物酚的后期合成成为可能。

  DOI：

  10.1021/acs.orglett.7b01403

文献信息

• [EN] INDOLYL-THIENO`3,4-B!PYRAZIN-3-ONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS<br/>[FR] DERIVES D'INDOLYL-THIENO`3,4-B!PYRAZIN-3-ONE UTILISES POUR TRAITER LES MALADIES ET LES TROUBLES HYPER-PROLIFERATIFS ASSOCIES A L'ANGIOGENESE
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2005051957A1

  公开（公告）日：2005-06-09

  This invention relates to a compound of Formula (I): (I) and its use in treating hyper-proliferative disorders and diseases associated with angiogenesis.

  这项发明涉及到化合物的公式(I)：(I)及其在治疗与血管生成有关的高增殖性疾病和疾病中的应用。
• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE LA PHOSPHOINOSITIDE 3-KINASE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2017029521A1

  公开（公告）日：2017-02-23

  The invention relates to a compound of formula I: (I) or a pharmaceutically acceptable salt thereof and/or stereoisomers thereof. The compounds of the invention are useful in therapy.

  这项发明涉及到式I的化合物：(I)或其药学上可接受的盐和/或立体异构体。该发明的化合物在治疗中是有用的。
• JAK INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2108642A1

  公开（公告）日：2009-10-14

  A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

  一种JAK抑制剂，其作为活性成分的是由式(I)表示的含氮杂环化合物 其中W代表氮原子或-CH-; X代表-C(=O)-或-CHR4-(其中R4代表氢原子或类似物); R1代表下述式[其中Q1代表-CR8-(其中R8代表氢原子、取代或未取代的较低烷基或类似物); Q2代表-NR15-(其中R15代表氢原子、取代或未取代的较低烷基或类似物);而R5和R6可以相同也可以不同，每个代表氢原子、卤素、羧基、取代或未取代的较低烷基或类似物，或类似物;而 R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基或类似物}或其药学上可接受的盐。
• Indole and dihydroindole derivatives
  申请人：——

  公开号：US20020103247A1

  公开（公告）日：2002-08-01

  The present invention relates to indole derivatives, dihydroindole derivatives and pharmaceutically acceptable salts and/or pharmaceutically acceptable esters thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with 2,3-oxidosqualene-lanosterol cyclase such as hypercholesterolemia, hyperlipemia, arteriosclerosis, vascular diseases, mycoses, gallstones, tumors and/or hyperproliferative disorders, and treatment and/or prophylaxis of impaired glucose tolerance and diabetes.

  本发明涉及吲哚衍生物、二氢吲哚衍生物及其药用可接受的盐和/或药用可接受的酯。这些化合物可用于治疗和/或预防与2,3-氧化齐墩果甾醇-鲍甲酚环化酶相关的疾病，如高胆固醇血症、高脂血症、动脉硬化、血管疾病、真菌病、胆结石、肿瘤和/或过度增生性疾病，以及治疗和/或预防糖耐量受损和糖尿病。
• [EN] INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS<br/>[FR] DERIVES D'INDOLYLE PYRAZINONE UTILES POUR LE TRAITEMENT DES MALADIES ET DES TROUBLES HYPERPROLIFERANTS ASSOCIES A L'ANGIOGENESE
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2004043950A1

  公开（公告）日：2004-05-27

  This invention relates to a compound of Formula I (I)and its use in treating hyper-proliferative disorders and diseases associated with angiogenesis.

  这项发明涉及一种式I（I）化合物及其在治疗与血管生成有关的高增殖性疾病和疾病中的应用。