2-氯-4-羟基苯甲醛 | 54439-75-7

• 物质功能分类: 有机原料 - 醛类化合物
• 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: 2-氯-4-羟基苯甲醛
• 中文别名: 2-氯-4-甲氧基苯甲醛
• 英文名称: 2-chloro-4-methoxybenzaldehyde
• CAS: 54439-75-7
• 化学式: C₈H₇ClO₂
• mdl: MFCD01741722
• 分子量: 170.595
• InChiKey: YWGKOEQZKMSICW-UHFFFAOYSA-N

物化性质

• 熔点：
  64℃
• 沸点：
  271.2±20.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 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：
  室温、密封保存，并保持干燥。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Chloro-4-methoxybenzaldehyde
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloro-4-methoxybenzaldehyde
CAS number: 54439-75-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

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

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-4-羟基苯甲醛 在 sodium tetrahydroborate 、 三溴化磷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.75h， 生成 2-氯-4-甲氧基溴苄
  参考文献：
  名称：

  重氮转移反应合成 α-芳基重氮膦酸盐

  摘要：

  提出了通过重氮转移反应制备α-芳基-α-重氮膦酸盐的简单合成方法。在叔丁醇钾 (KO t Bu)的存在下，膦酸苄酯与叠氮化甲苯磺酰 (TsN 3 ) 反应得到重氮膦酸酯，产率高达 79%。建议的方法是通用的。该反应使用容易获得的起始材料，耐受各种官能团，可用于数克规模的合成。

  DOI：

  10.1021/acs.joc.1c02673
• 作为产物：
  描述：

  1-溴甲基-2-氯-4-硝基苯 在 甲醇 、 lead(II) nitrate 、 水 作用下， 生成 2-氯-4-羟基苯甲醛
  参考文献：
  名称：

  Tiemann, Chemische Berichte, 1891, vol. 24, p. 706

  摘要：

  DOI：

文献信息

• Pd-Catalyzed Tandem Cyclization via C–H Arylation and Acylation for the Construction of Polycyclic Scaffolds
  作者：Bing Mu、Jingya Li、Dapeng Zou、Yusheng Wu、Junbiao Chang、Yangjie Wu

  DOI：10.1021/acs.orglett.6b02571

  日期：2016.10.21

  The first Pd-catalyzed tandem cyclization of imidazo[1,2-a]pyridines with 2-chlorobenzaldehydes through C–H arylation and acylation is presented for the efficient synthesis of novel 6H-benzo[b]imidazo[5,1,2-de]quinolizin-6-ones. The direct acylation reaction proceeded smoothly without the aid of directing groups and in the presence of air as a clean and free terminal oxidant.

  提出了通过C–H芳基化和酰化反应，用2-氯苯甲醛将Pd催化的咪唑并[1,2- a ]吡啶串联环化反应，以有效合成新型6 H-苯并[ b ]咪唑并[5,1,2] -德〕喹6人。直接酰化反应在没有引导基团的帮助下并且在作为清洁和游离末端氧化剂的空气存在下顺利进行。
• [EN] 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA 3-PHOSPHOGLYCÉRATE DÉSHYDROGÉNASE ET LEURS UTILISATIONS
  申请人：RAZE THERAPEUTICS INC

  公开号：WO2017156165A1

  公开（公告）日：2017-09-14

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• 부테놀라이드계 화합물과 그의 제조방법 및 그를 포함하는 약제학적 조성물
  申请人：Seoul National University R&DB Foundation 서울대학교산학협력단(120070509242) Corp. No ▼ 114371-0009224BRN ▼119-82-03684

  公开号：KR101599426B1

  公开（公告）日：2016-03-07

  본 발명은 부테놀라이드계 화합물, 그의 입체이성질체, 그의 거울상이성질체, 생체 내에서 가수분해 가능한 그의 전구체 또는 약제학적으로 허용 가능한 그의 염 및 그들이 갖는 항균활성, 면역질환치료 및 예방 활성, 암의 예방 또는 치료 효능 및 의료용 삽입기기의 오손 방지 활성에 관한 것이다.

  This text is already in Korean. Would you like a translation into another language?
• [EN] SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF<br/>[FR] BENZAMIDES SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2015078374A1

  公开（公告）日：2015-06-04

  The invention provides compounds having the general formula I, and pharmaceutically acceptable salts thereof, wherein the variables RA, RAA, subscript n, ring A, X2, L, subscript m, X1, R1, R2, R3, R4, R5, and RN have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  这项发明提供了具有一般式I的化合物及其药用盐，其中变量RA、RAA、下标n、环A、X2、L、下标m、X1、R1、R2、R3、R4、R5和RN的含义如本文所述，并包含这种化合物的组合物和使用这种化合物和组合物的方法。
• [EN] PENICILLIN-BINDING PROTEIN INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE DE LIAISON À LA PÉNICILLINE
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2021108023A1

  公开（公告）日：2021-06-03

  Described herein are certain boron-containing compounds, compositions, preparations and their use as modulators of the transpeptidase function of bacterial penicillin-binding proteins and as antibacterial agents. In some embodiments, the compounds described herein inhibit penicillin-binding proteins. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

  本文描述了某些含硼化合物、组合物、制剂及其作为细菌青霉素结合蛋白的跨肽酶功能调节剂和抗菌剂的用途。在某些实施例中，本文描述的化合物抑制青霉素结合蛋白。在某些实施例中，本文描述的化合物在治疗细菌感染方面是有用的。