4-溴-1-萘甲酸叔丁酯 | 929000-22-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-溴-1-萘甲酸叔丁酯
• 中文别名: 4-溴-1-萘酸叔丁酯
• 英文名称: tert-butyl 4-bromonaphthalene-1-carboxylate
• 英文别名: tert-Butyl 4-bromo-1-naphthoate
• CAS: 929000-22-6
• 化学式: C₁₅H₁₅BrO₂
• 分子量: 307.187
• InChiKey: JCSZXGTXRLOCHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: t-Butyl 4-bromo-1-naphthoate
Synonyms: t-Butyl 4-bromo-1-naphthalenecarboxylate

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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: t-Butyl 4-bromo-1-naphthoate
CAS number: 929000-22-6

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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.
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: C15H15BrO2
Molecular weight: 307.2

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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, hydrogen bromide.

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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：

  4-溴-1-萘甲酸叔丁酯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 硫化氢 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 三乙胺 、 calcium hydroxide 作用下， 以 二氯甲烷 、 甲基叔丁基醚 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 2.0h， 生成 tert-butyl 4-[4,4,4-trifluoro-3-sulfanyl-3-(3,4,5-trichlorophenyl)butanoyl]naphthalene-1-carboxylate
  参考文献：
  名称：

  [EN] NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS
  [FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN GROUPE NAPHTYLE OU ISOQUINOLÉINYLE

  摘要：

  本发明涉及公式（I）中变量如权利要求和描述中所定义的萘基或异喹啉基取代的异噻唑啉化合物。该化合物用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。本发明还涉及一种使用这些化合物来控制无脊椎动物害虫的方法，以及植物繁殖材料和包含该化合物的农业和兽医组合物。

  公开号：

  WO2014206907A1
• 作为产物：
  描述：

  4-溴-1-萘甲酸 在 氯化亚砜 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4-溴-1-萘甲酸叔丁酯
  参考文献：
  名称：

  [EN] NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS
  [FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN GROUPE NAPHTYLE OU ISOQUINOLÉINYLE

  摘要：

  本发明涉及公式（I）中变量如权利要求和描述中所定义的萘基或异喹啉基取代的异噻唑啉化合物。该化合物用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。本发明还涉及一种使用这些化合物来控制无脊椎动物害虫的方法，以及植物繁殖材料和包含该化合物的农业和兽医组合物。

  公开号：

  WO2014206907A1

文献信息

• [EN] INHIBITORS OF CD40-CD154 BINDING<br/>[FR] INHIBITEURS DE LIAISON CD40-CD154
  申请人：TONIX PHARMACEUTICALS HOLDING CORP

  公开号：WO2020210831A1

  公开（公告）日：2020-10-15

  Disclosed herein are compounds including pharmaceutically acceptable salts, esters, prodrugs, hydrates and tautomers thereof which modulate the interactions of CD-40-CD40L. The compounds are useful for treating, ameliorating or preventing an autoimmune disease, inflammatory disease, or other immune-related disease in a patient in need of treatment.

  本文披露了包括药用可接受的盐、酯、前药、水合物和互变异构体在内的化合物，这些化合物调节CD-40-CD40L的相互作用。这些化合物可用于治疗、改善或预防患有自身免疫疾病、炎症性疾病或其他免疫相关疾病的患者。
• Synthesis, Spectroscopic, and ¹O₂ Sensitization Characteristics of Extended Pd(II) 10,10-Dimethylbiladiene Complexes Bearing Alkynyl–Aryl Appendages
  作者：Anthony T. Rice、Maxwell I. Martin、Molly C. Warndorf、Glenn P. A. Yap、Joel Rosenthal

  DOI：10.1021/acs.inorgchem.1c01127

  日期：2021.8.2

  Photodynamic therapy (PDT), which involves the photoinduced sensitization of singlet oxygen, is an attractive treatment for certain types of cancer. The development of new photochemotherapeutic agents remains an important area of research. Macrocyclic tetrapyrrole compounds including porphyrins, phthalocyanines, chlorins, and bacteriochlorins have been pursued as sensitizers of singlet oxygen for PDT

  光动力疗法 (PDT) 涉及单线态氧的光致敏化，是对某些类型癌症有吸引力的治疗方法。新光化学治疗剂的开发仍然是一个重要的研究领域。包括卟啉、酞菁、二氢卟酚和菌绿素在内的大环四吡咯化合物已被用作 PDT 应用中单线态氧的敏化剂，但历来难以制备/纯化，并且还存在高非特异性暗毒性、在生物介质中的溶解性差和/或从生物组织中缓慢清除。针对这些缺点，我们开发了一系列新型线性四吡咯结构，与晚期过渡金属络合，作为潜在的 PDT 试剂。我们发现这些二甲基胆二烯 ( DMBil1) 四吡咯配合物可以在可见光照射下有效地光敏产生1 O 2氧。为了扩展DMBil1平台的吸收曲线，使用 Sonogashira 方法将炔基-芳基共轭到四吡咯的外围。已制备并表征了此类含有辅助苯基 ( DMBil-PE )、萘基 ( DMBil-NE ) 和蒽基 ( DMBil-AE ) 基团的衍生物。除了在结构上表征Pd[DMBil-NE]和Pd[DMBil-AE]
• [EN] NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN GROUPE NAPHTYLE OU ISOQUINOLÉINYLE
  申请人：BASF SE

  公开号：WO2014206907A1

  公开（公告）日：2014-12-31

  The present invention relates to naphthyl-or isoquinolinyl-substituted isothiazoline compounds of formula (I) wherein the variables are as defined in the claims and description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式（I）中变量如权利要求和描述中所定义的萘基或异喹啉基取代的异噻唑啉化合物。该化合物用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。本发明还涉及一种使用这些化合物来控制无脊椎动物害虫的方法，以及植物繁殖材料和包含该化合物的农业和兽医组合物。
• [EN] NOVEL HETROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HÉTROCYCLIQUES
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2022096990A1

  公开（公告）日：2022-05-12

  The present invention relates to novel compounds of general formula (I), their tautomeric forms & deuterated forms, their pharmaceutically acceptable salts, prodrugs and their pharmaceutically acceptable salts, their polymorphs, pre-mixtures with excipients and polymers, and pharmaceutical compositions containing them. The present invention also relates to a process for preparing compounds of general formula (I), their tautomeric forms, their pharmaceutically acceptable salts and pharmaceutical compositions containing them.

  本发明涉及一般式（I）的新化合物，它们的互变异构体和氘代形式，它们的药学上可接受的盐，前药及其药学上可接受的盐，它们的多晶形态，与赋形剂和聚合物的预混物，以及含有它们的制药组合物。本发明还涉及一种制备一般式（I）化合物，其互变异构体，其药学上可接受的盐和含有它们的制药组合物的方法。