5-溴-2-氯-4'-乙氧基二苯甲烷 | 461432-23-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: 5-溴-2-氯-4'-乙氧基二苯甲烷
• 中文别名: 4-溴-1-氯-2-(4-乙氧基苄基)苯；5-溴-2-氯-4’-乙氧基二苯甲烷；2-(4-乙氧基苄基)-4-澳-1-氯苯；4-(5-溴-2-氯苄基)苯基乙基醚
• 英文名称: 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
• 英文别名: 4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene；5-bromo-2-chloro-4'-ethoxydiphenylmethane；4-(5-bromo-2-chlorobenzyl)phenyl ethyl ether；1-(5-bromo-2-chlorobenzyl)-4-ethoxybenzene；5-bromo-2-chloro-4’-ethoxydiphenylmethane
• CAS: 461432-23-5
• 化学式: C₁₅H₁₄BrClO
• 分子量: 325.633
• InChiKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N

物化性质

• 沸点：
  393.0±32.0 °C(Predicted)
• 密度：
  1.371±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于乙腈（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存于室温、干燥且密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
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: 4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
CAS number: 461432-23-5

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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: C15H14BrClO
Molecular weight: 325.6

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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, 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

制备方法与用途

用途

5-溴-2-氯-4'-乙氧基二苯甲烷用作达格列净的合成试剂，是一种有效的选择性肾钠依赖性葡萄糖共转运蛋白2（SGLT2）抑制剂，用于治疗2型糖尿病。

简介

5-溴-2-氯-4'-乙氧基二苯甲烷是烃类衍生物，可用作达格列净的中间体。

应用

5-溴-2-氯-4-乙氧基二苯甲烷是一种白色粉末，用作治疗2型糖尿病成人患者的原料药达格列净/达格列嗪的中间体。

反应信息

• 作为反应物：
  描述：

  5-溴-2-氯-4'-乙氧基二苯甲烷 在 三乙基硅烷 、 4-二甲氨基吡啶 、 正丁基锂 、 水 、 三溴化硼 、 caesium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 14.5h， 生成 依帕列净
  参考文献：
  名称：

  PROCESSES FOR THE PREPARATION OF EMPAGLIFLOZIN

  摘要：

  本发明涉及制备恩帕格列非津的过程。具体地，本发明涉及恩帕格列非津及其中间体的制备。本发明还涉及恩帕格列非津和氨基酸的共晶体以及恩帕格列非津的非晶形态。

  公开号：

  US20170247356A1
• 作为产物：
  描述：

  4'-溴乙酰苯胺 在 盐酸 、 氢氟酸 、 sodium nitrite 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 21.5h， 生成 5-溴-2-氯-4'-乙氧基二苯甲烷
  参考文献：
  名称：

  一种降糖药达格列净的制备方法

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