3-氯-2-甲氧基苯甲醛 | 223778-54-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 3-氯-2-甲氧基苯甲醛
• 中文别名: 3-氯-2-甲氧基吡啶苯甲醛
• 英文名称: 3-chloro-2-methoxybenzaldehyde
• CAS: 223778-54-9
• 化学式: C₈H₇ClO₂
• 分子量: 170.595
• InChiKey: KAVGGMKKDUTMJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2913000090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C，惰性气体氛围

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-2-methoxybenzaldehyde
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: 3-Chloro-2-methoxybenzaldehyde
CAS number: 223778-54-9

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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: C8H7ClO2
Molecular weight: 170.6

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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 chloride.

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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：

  3-氯-2-甲氧基苯甲醛 在 吡啶 、 盐酸 、 N-氯代丁二酰亚胺 、 碘苯二乙酸 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 53.0h， 生成 3,5,6-trichloroguaiacol
  参考文献：
  名称：

  α-卤化作为使环己-2,4-二烯酮功能化的策略

  摘要：

  开发了一种简便的吡啶介导的 α-卤化方法来功能化环六-2,4-二烯酮。一系列反应，包括有机金属偶联方案，已应用于这些新获得的卤化环六-2,4-二烯酮，结果在本文中呈现。

  DOI：

  10.1055/s-0036-1588359
• 作为产物：
  描述：

  (3-氯-2-甲氧基苯基)甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 20.5h， 以92%的产率得到3-氯-2-甲氧基苯甲醛
  参考文献：
  名称：

  Novel compounds

  摘要：

  本发明提供了一种具有以下结构的化合物 其中R 1 ，R 2 ，R 3 和n具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物可用作治疗包括尿路障碍、疼痛、早泄、ADHD和纤维肌痛等疾病的药物。还提供了包含一种或多种Formula I化合物的药物组合物。

  公开号：

  US20050250775A1

文献信息

• [EN] AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME<br/>[FR] INHIBITEURS D'AMINOPEPTIDASE A ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
  申请人：QUANTUM GENOMICS

  公开号：WO2020084131A1

  公开（公告）日：2020-04-30

  The present invention relates to a novel compound, to a composition comprising the same, to methods for preparing the compound, and the use of this compound in therapy. In particular, the present invention relates to compound that is useful in the treatment and prevention of primary and secondary arterial hypertension, ictus, myocardial ischaemia, cardiac and renal insufficiency, myocardial infarction, peripheral vascular disease, diabetic proteinuria, Syndrome X and glaucoma.

  本发明涉及一种新型化合物，包括该化合物的组合物，制备该化合物的方法，以及该化合物在治疗中的应用。具体而言，本发明涉及一种在治疗和预防原发性和继发性动脉高血压、中风、心肌缺血、心脏和肾功能不全、心肌梗死、外周血管疾病、糖尿病蛋白尿、X综合征和青光眼中有用的化合物。
• [EN] THYROID HORMONE RECEPTOR AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'HORMONE THYROÏDIENNE ET UTILISATIONS ASSOCIÉES
  申请人：FRONTHERA U S PHARMACEUTICALS LLC

  公开号：WO2019240938A1

  公开（公告）日：2019-12-19

  Described herein are methods and compositions for the treatment of conditions, diseases, or disorders associated with thyroid hormone receptor activity. The methods and compositions disclosed herein include the use of at least one thyroid hormone receptor agonist.

  本文描述了用于治疗与甲状腺激素受体活性相关的疾病、疾病或疾病的方法和组合物。本文披露的方法和组合物包括至少使用一种甲状腺激素受体激动剂。
• [EN] HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY<br/>[FR] COMPOSES HETEROCYCLIQUES, PROCEDES DE PRODUCTION DE CEUX-CI ET UTILISATION DE CEUX-CI DANS UN TRAITEMENT
  申请人：AFFINIUM PHARM INC

  公开号：WO2004052890A1

  公开（公告）日：2004-06-24

  In part, the present invention is directed to antibacterial compounds of formula (I) wherein A is a bicyclic heteroaryl ring or a tricyclic ring and R2 is an heterocyclic residue; L is a bond, or L is alkyl, alkenyl or cycloalkyl.

  在某种程度上，本发明涉及公式（I）的抗菌化合物，其中A是一个双环杂芳基环或三环环，R2是一个杂环残基；L是一个键，或者L是烷基，烯基或环烷基。
• A Mild<i>meta</i>-Selective C-H Alkylation of Catechol Mono-Ethers
  作者：Edon Vitaku、Jon T. Njardarson

  DOI：10.1002/ejoc.201600760

  日期：2016.8

  report a mild meta-selective C–H alkylation of these phenols, which is enabled by a cascade of oxidative dearomatization – radical addition – rearomatization process. The method is compatible with reactive functional groups on the parent arenol, such as olefins and halides. Primary, secondary, and teriary alkyl groups can be used, the source of which is most commonly an alkylborane. This process is operationally

  儿茶酚单醚是一类重要的酚类。它们存在于许多药物、调味剂、香水中，并用于制备多种药物。在此，我们报告了这些酚的温和间位选择性 C-H 烷基化，这是通过氧化脱芳构化 - 自由基加成 - 重构化过程的级联反应实现的。该方法与母体芳醇上的反应性官能团兼容，例如烯烃和卤化物。可以使用伯、仲和叔烷基，其来源最常见的是烷基硼烷。该过程操作简单，不需要加热并且通常以良好的产率进行。
• Synthesis of Hydroxylated and Methoxylated Polybrominated Diphenyl Ethers − Natural Products and Potential Polybrominated Diphenyl Ether Metabolites
  作者：Göran Marsh、Roland Stenutz、Åke Bergman

  DOI：10.1002/ejoc.200300081

  日期：2003.7

  Hydroxylated and methoxylated polybrominated diphenyl ethers (OH-PBDEs and MeO-PBDEs) may be natural products or they may be formed as metabolites of polybrominated diphenyl ethers (PBDEs), frequently used as flame retardants. The aim of this work was to synthesize authentic OH- and MeO-PBDE reference standards for analytical and toxicological studies. Brominated phenoxybenzaldehydes were prepared

  羟基化和甲氧基化的多溴联苯醚（OH-PBDEs 和 MeO-PBDEs）可能是天然产物，也可能作为多溴化二苯醚 (PBDEs) 的代谢物形成，通常用作阻燃剂。这项工作的目的是为分析和毒理学研究合成真正的 OH- 和 MeO-PBDE 参考标准。溴化苯氧基苯甲醛通过 2,4-二溴苯酚与各种氟苯甲醛的偶联或通过溴化羟基苯甲醛与 2,2',4,4'-四溴二苯基氯化碘的偶联制备。OH-PBDEs 是通过 Baeyer-Villiger 氧化和酸催化水解通过溴化苯氧基苯甲醛合成的。这些 OH-PBDEs 用三溴化苄基三甲基铵进行邻溴化和对溴化（相对于羟基）和/或用溴/叔丁胺邻溴化，并且在一种情况下也用溴溴化。MeO-PBDEs 是通过甲基化制备的 OH-PBDEs 获得的。MeO-PBDEs 也通过溴化甲氧基苯酚与 2,2',4,4'-四溴二苯基碘盐偶联制备，脱甲基后得到相应的 OH-PBDEs。大多数制备的