2,4-二溴-5-甲氧基甲苯 | 5456-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,4-二溴-5-甲氧基甲苯
• 中文别名: 1,5-二溴-2-甲氧基-4-甲基苯
• 英文名称: 2,4-dibromo-5-methylanisole
• 英文别名: 2,4-dibromo-5-methyl-anisole；2,4-Dibrom-5-methyl-anisol；Methyl-(4.6-dibrom-3-methyl-phenyl)-aether；4.6-Dibrom-3-methoxy-toluol；1,5-dibromo-2-methoxy-4-methyl-benzene；2,4-Dibrom-5-Methoxytoluol；2,4-Dibromo-5-methoxytoluene；1,5-dibromo-2-methoxy-4-methylbenzene
• CAS: 5456-94-0
• 化学式: C₈H₈Br₂O
• 分子量: 279.959
• InChiKey: CDLNHQVKSMDSAI-UHFFFAOYSA-N

物化性质

• 熔点：
  74-76°C

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2909309090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,4-Dibromo-5-methylanisole
Synonyms: 2,4-Dibromo-5-methoxytoluene; 1,5-Dibromo-2-methoxy-4-methylbenzene

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,4-Dibromo-5-methylanisole
CAS number: 5456-94-0

---

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: C8H8Br2O
Molecular weight: 280.0

---

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.

---

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：

  2,4-二溴-5-甲氧基甲苯 在 硫酸 、 氢溴酸 、 溶剂黄146 作用下， 生成 2,3,6-三溴对甲酚
  参考文献：
  名称：

  Haworth; Lapworth, Journal of the Chemical Society, 1923, vol. 123, p. 2989

  摘要：

  DOI：
• 作为产物：
  描述：

  间甲基苯甲醚 在 N,N-二异丁基甲酰胺 、 氢溴酸 作用下， 以 水 为溶剂， 生成 2,4-二溴-5-甲氧基甲苯
  参考文献：
  名称：

  可见光照射下有机-无机杂化钙钛矿基光催化剂的芳香溴化产氢

  摘要：

  芳香族溴化物是自然界和化学工业中的重要化学品。然而，它们的传统合成路线存在原子经济性低和污染物形成的问题。在此，我们展示了在 HBr 水溶液中稳定的有机-无机杂化钙钛矿甲基溴化铅 (MAPbBr 3 ) 纳米晶体可以在可见光照射下使用 HBr 作为溴源同时实现芳香族溴化和析氢。通过将 MAPbBr 3与 Pt/Ta 2 O 5和聚（3,4-乙烯二氧噻吩）聚苯乙烯磺酸盐作为电子和空穴传输基序杂化，以高产率（高达 99%）和选择性（高达 99%) 与添加N, N-二甲基甲酰胺或其类似物。机理研究表明溴化通过亲电攻击途径进行，HOBr可能是溴化反应的关键中间体。

  DOI：

  10.1016/s1872-2067(22)64101-9

文献信息

• Dehydroxymethyl Bromination of Alkoxybenzyl Alcohols by Using a Hypervalent Iodine Reagent and Lithium Bromide
  作者：Tomohiro Maegawa、Ayako Shibata、Sara Kitamoto、Kazuma Fujimura、Yuuka Hirose、Hiromi Hamamoto、Akira Nakamura、Yasuyoshi Miki

  DOI：10.1055/s-0037-1610980

  日期：2018.10

  We describe the dehydroxymethylbromination of alkoxybenzyl alcohol by using a hypervalent iodine reagent and lithium bromide in F3CCH2OH at room temperature. Selective monobromination or dibromination was possible by adjusting the molar ratios of hypervalent iodine reagent and lithium bromide.

  我们描述了在室温下在 F3CCH2OH 中使用高价碘试剂和溴化​​锂对烷氧基苄醇进行脱羟甲基溴化。通过调节高价碘试剂和溴化​​锂的摩尔比，可以选择性地单溴化或二溴化。
• Effect of Cyclodextrins on Electrophilic Aromatic Bromination in Aqueous Solution
  作者：Paul G. Dumanski、Christopher J. Easton、Stephen F. Lincoln、Jamie S. Simpson

  DOI：10.1071/ch03102

  日期：——

  molecular reactors to change the ratios of the products of reactions of anisole, acetanilide, 3-methylanisole, and 3-methylacetanilide with pyridinium dichlorobromate. With anisole and acetanilide, bromination at the para position is favoured over ortho substitution, and the effect is greatest with α-cyclodextrin. In the reactions of the methylanisole and methylacetanilide, the cyclodextrins afford higher

  环糊精充当分子反应器以改变苯甲醚、乙酰苯胺、3-甲基苯甲醚和3-甲基乙酰苯胺与二氯溴酸吡啶鎓的反应产物的比率。对于苯甲醚和乙酰苯胺，对位溴化优于邻位取代，α-环糊精效果最大。在甲基苯甲醚和甲基乙酰苯胺的反应中，环糊精的一溴化物产率较高，二溴化物和三溴化物的产率较低，β-环糊精的效果最大。这些结果可归因于在环糊精中包含底物，限制了与甲氧基和乙酰氨基基团相邻的试剂的接近。4-溴苯甲醚、4-溴乙酰苯胺、4-溴-3-甲基苯甲醚和4-溴-3-甲基乙酰苯胺的产率因此从73增加到94，分别为 55 至 98、37 至 86 和 39 至 72%。或许更重要的是，相应副产品的数量大幅减少，从 27% 减少到 6%，从 45% 减少到 2%，从 63% 减少到 14%，从 61% 减少到 28%。由于反应在环境温度下很容易在水中发生，环糊精使它们非常有效。
• THE SYNTHESIS OF TWO ISOMERIC THYMOLS
  作者：R. A. B. Bannard、L. C. Leitch

  DOI：10.1139/v56-188

  日期：1956.10.1

  2-Isopropyl-3-methylphenol has been synthesized and found to be identical with the isopropyl-3-methylphenol of m.p. 69 °C. obtained from the isopropylation of m-cresol. 6-Isopropyl-3-methoxytoluene has been synthesized and found to be identical with the methyl ether of the isopropyl-3-methylphenol of m.p. 112 °C., also obtained from the isopropylation of m-cresol.

  2-异丙基-3-甲基苯酚已经合成，并发现与熔点为69°C的异丙基-3-甲基苯酚相同，后者是从m-甲基苯酚的异丙基化反应中得到的。6-异丙基-3-甲氧基甲苯已合成，并发现与熔点为112°C的异丙基-3-甲基苯酚的甲醚相同，后者也是从m-甲基苯酚的异丙基化反应中得到的。
• PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS
  申请人：Dowdy Eric

  公开号：US20130116437A1

  公开（公告）日：2013-05-09

  The invention provides synthetic processes and synthetic intermediates that can be used to prepare 4-oxoquinolone compounds having useful integrase inhibiting properties.

  本发明提供一种合成过程和合成中间体，可用于制备具有有用的整合酶抑制性能的4-氧喹诺酮化合物。
• ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME
  申请人：Kawamura Masahiro

  公开号：US20120138914A1

  公开（公告）日：2012-06-07

  An anthracene derivative represented by the following formula (1): In the formula (1), Z is a structure represented by the following formula (2). In the formula (2), at least one pair of adjacent two substituents of R 11 to R 18 form a ring represented by the following formula (3) or (4):

  一种由以下公式（1）表示的蒽衍生物： 在公式（1）中，Z是由以下公式（2）表示的结构。在公式（2）中，R11到R18中至少有一对相邻的两个取代基形成由以下公式（3）或（4）表示的环：

表征谱图