1-[4-(2,4-二氯苯氧基)苯基]-1-乙酮 | 129644-21-9

• 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: 1-[4-(2,4-二氯苯氧基)苯基]-1-乙酮
• 英文名称: 4-(2,4-Dichlorophenoxy)acetophenone
• 英文别名: 1-[4-(2,4-dichloro-phenoxy)-phenyl]-ethanone；1-[4-(2,4-Dichlor-phenoxy)-phenyl]-aethanon；1-[4-(2,4-Dichlorophenoxy)phenyl]ethan-1-one；1-[4-(2,4-dichlorophenoxy)phenyl]ethanone
• CAS: 129644-21-9
• 化学式: C₁₄H₁₀Cl₂O₂
• mdl: MFCD00052979
• 分子量: 281.138
• InChiKey: ZBDBEXYSYTYQJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2914700090

SDS

Name:	1-[4-(2 4-Dichlorophenoxy)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:	4-Acetyl-2,4-dichlorophenyl ethe
CAS:	129644-21-9

Section 1 - Chemical Product MSDS Name:1-[4-(2 4-Dichlorophenoxy)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:4-Acetyl-2,4-dichlorophenyl ethe

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
129644-21-9	1-[4-(2,4-dichlorophenoxy)phenyl]ethan	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 129644-21-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 71 - 73 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H10Cl2O2
Molecular Weight: 281

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 129644-21-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[4-(2,4-dichlorophenoxy)phenyl]ethan-1-one - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 129644-21-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 129644-21-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 129644-21-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-[4-(2,4-二氯苯氧基)苯基]-1-乙酮 在 selenium(IV) oxide 、 高氯酸 、 sodium methylate 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 20.0h， 生成 4-[4-(2,4-Dichloro-phenoxy)-phenyl]-5H-furan-2-one
  参考文献：
  名称：

  Simple Preparation of 4-Aryl- and 4-Alkyl-2(5H)-furanones from β-Substituted Crotonic Esters

  摘要：

  用二氧化硒处理β-芳基或β-烷基克罗烯酸酯，在醋酸中加入催化量的高氯酸，得到了4-取代的2(5H)-呋喃酮，产率中等到良好。

  DOI：

  10.1055/s-1992-26237
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) chloride 作用下， 生成 1-[4-(2,4-二氯苯氧基)苯基]-1-乙酮
  参考文献：
  名称：

  Kimoto et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1952, vol. 72, p. 496

  摘要：

  DOI：

文献信息

• Benzisoxazole compounds useful as herbicides
  申请人：Imperial Chemical Industries PLC

  公开号：US05176737A1

  公开（公告）日：1993-01-05

  A herbicidal compound of formula (I): ##STR1## in which Ar is an optionally substituted aryl or heterocyclic ring system: R.sup.1 and R.sup.2 are independently selected from H, optionally substituted alkyl, alkenyl or akynyl, halogen, NR.sup.a R.sup.b, or R.sup.1 and R.sup.2 together with the carbon to which they are attached form an optionally substituted alkenyl or cycloalkyl group; R.sup.3 is CO.sub.2 R.sup.4, CN, COR.sup.4, CH.sub.2 OR.sup.4, CH.sub.4 (OH)R.sup.4, CH(OR.sup.4)R.sup.5, CH.sub.2 OSO.sub.6 R.sup.4, CH.sub.2 OSO.sub.6 R.sub.4, CH.sub.2 ONR.sup.6 R.sup.7, CSNH.sub.2, COSR.sup.4, SCOR.sup.4, COHNSO.sub.2 R.sup.4, CONR.sup.6 R.sup.7, CONHNR.sup.6 R.sup.7, CONHN.sup.+ R.sup.6 R.sup.7 R.sup.8 Y.sup.-2, CO.sub.2.sup.- M.sup.+ or COON.dbd.CR.sup.6 R.sup.7 ; M.sup.+ is an agriculturally acceptable cation; Y.sup.- is an agriculturally acceptable anion; R.sup.4, and R.sup.5 are independently selected from H or an optionally substituted alkyl, aryl, alkenyl or alkynyl group; R.sup.6, R.sup.7, R.sup.8, R.sup.9, R.sup.a and R.sup.b are independently selected from H or an optionally substituted alkyl alkenyl, aryl or akynyl group or any two of R.sup.6, R.sup.7, R.sup.8, R.sup.9, R.sup.a and R.sup.b together with the atom to which they are attached form a cycloalkyl or heterocyclic ring; R.sup.6 and R.sup.7 may also be a heterocyclic ring; W is O or NR.sup.10 where R.sup.10 is H or lower alkyl; X is (CH.sub.2).sub.n, CH.dbd.CH, CH(OR.sup.c)CH.sub.2, COCH.sub.2 ; where R.sup.c is H or an optionally substituted alkyl, aryl, alkynyl or alkynyl group; and n is O, 1 or 2.

  化合物公式（I）的除草剂化合物：##STR1## 其中Ar是可选取代的芳基或杂环烷基系统：R1和R2独立选择自H、可选取代的烷基、烯基或炔基、卤素、NRaRb，或R1和R2与它们所附着的碳形成可选取代的烯基或环烷基基团；R3是CO2R4、CN、COR4、CH2OR4、CH4(OH)R4、CH(OR4)R5、CH2OSO6R4、CH2OSO6R4、CH2ONR6R7、CSNH2、COSR4、SCOR4、COHNSO2R4、CONR6R7、CONHNR6R7、CONHN+R6R7R8Y-2、CO2-M+或COON=CR6R7；M+是农业可接受的阳离子；Y-是农业可接受的阴离子；R4和R5独立选择自H或可选取代的烷基、芳基、烯基或炔基；R6、R7、R8、R9、Ra和Rb独立选择自H或可选取代的烷基、烯基、芳基或炔基，或其中任意两个与它们所附着的原子形成环烷基或杂环基；R6和R7也可以是杂环基；W是O或NR10，其中R10是H或较低的烷基；X是（CH2）n、CH=CH、CH(ORc)CH2、COCH2；其中Rc是H或可选取代的烷基、芳基、炔基或炔基；n为O、1或2。
• [EN] MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE<br/>[FR] DERIVES DE L'AZOLE ET DERIVES BICYCLIQUES FUSIONNES DE L'AZOLE, AGENTS THERAPEUTIQUES
  申请人：TRANSTECH PHARMA INC

  公开号：WO2003075921A2

  公开（公告）日：2003-09-18

  This invention provides certain compounds of formula I wherein A1 is O, S or -N(R2)-, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as modulators of the interaction between the receptor for advanced glycated end products (RAGE) and its ligands, such as advanced glycated end products (AGEs), S100/calgranulin/EN-RAGE, β-amyloid and amphoterin, and for the management, treatment, control, or as an adjunct treatment for diseases in humans caused by RAGE. Such diseases or disease states include acute and chronic inflammation, the development of diabetic late complications such as increased vascular permeability, nephropathy, atherosclerosis, and retinopathy, the development of Alzheimer’s disease, erectile dysfunction, and tumor invasion and metastasis.

  本发明提供了一些公式I的化合物，其中A1是O，S或-N（R2）-，它们的制备方法，包括这些化合物的制药组合物，以及它们在治疗人类或动物疾病方面的用途。本发明的化合物可作为高级糖基化终产物（AGEs），S100 / calgranulin / EN-RAGE，β-淀粉样蛋白和amphoterin等配体与其受体（RAGE）之间相互作用的调节剂，并用于治疗由RAGE引起的人类疾病的管理，治疗，控制或辅助治疗。这些疾病或疾病状态包括急性和慢性炎症，糖尿病晚期并发症的发展，如增加的血管通透性，肾病，动脉粥样硬化和视网膜病变，阿尔茨海默病的发展，勃起功能障碍以及肿瘤侵袭和转移。
• Azole derivatives and fused bicyclic azole derivatives as therapeutic agents
  申请人：Mjalli M. M. Adnan

  公开号：US20070213347A1

  公开（公告）日：2007-09-13

  This invention provides certain compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as modulators of the interaction between the receptor for advanced glycated end products (RAGE) and its ligands, such as advanced glycated end products (AGEs), S100/calgranulin/EN-RAGE, β-amyloid and amphoterin, and for the management, treatment, control, or as an adjunct treatment for diseases in humans caused by RAGE. Such diseases or disease states include acute and chronic inflammation, the development of diabetic late complications such as increased vascular permeability, nephropathy, atherosclerosis, and retinopathy, the development of Alzheimer's disease, erectile dysfunction, and tumor invasion and metastasis.

  本发明提供了某些化合物、它们的制备方法、包含这些化合物的药物组合物，并且它们在治疗人类或动物疾病方面的用途。本发明的化合物可用作高级糖基化终产物受体（RAGE）和其配体（如高级糖基化终产物（AGEs）、S100/calgranulin/EN-RAGE、β-淀粉样蛋白和amphoterin）之间相互作用的调节剂，并用于管理、治疗、控制或作为辅助治疗RAGE引起的人类疾病。这些疾病或疾病状态包括急性和慢性炎症、糖尿病晚期并发症的发展，如增加的血管通透性、肾病、动脉粥样硬化和视网膜病变，阿尔茨海默病的发展、勃起功能障碍以及肿瘤浸润和转移。
• AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS
  申请人：Mjalli Adnan M.M.

  公开号：US20120088778A1

  公开（公告）日：2012-04-12

  This invention provides certain compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as modulators of the interaction between the receptor for advanced glycated end products (RAGE) and its ligands, such as advanced glycated end products (AGEs), S100/calgranulin/EN-RAGE, β-amyloid and amphoterin, and for the management, treatment, control, or as an adjunct treatment for diseases in humans caused by RAGE. Such diseases or disease states include acute and chronic inflammation, the development of diabetic late complications such as increased vascular permeability, nephropathy, atherosclerosis, and retinopathy, the development of Alzheimer's disease, erectile dysfunction, and tumor invasion and metastasis.

  本发明提供了某些化合物、其制备方法、包含这些化合物的药物组合物，以及它们在治疗人类或动物疾病中的应用。该发明的化合物可用作高级糖基化终末产物（AGEs）、S100/calgranulin/EN-RAGE、β-淀粉样蛋白和amphoterin等配体与其受体——高级糖基化终末产物受体（RAGE）之间相互作用的调节剂，以及用于治疗由RAGE引起的人类疾病的管理、治疗、控制或辅助治疗。这些疾病或疾病状态包括急性和慢性炎症、糖尿病后期并发症的发展，如增加血管通透性、肾病、动脉粥样硬化和视网膜病变，阿尔茨海默病的发展、勃起功能障碍和肿瘤侵袭和转移。
• A CuMoO₄ nanocatalyst for C_sp²–O cross-couplings; easy access to nitrofen derivatives
  作者：Pradyota Kumar Behera、Papita Behera、Amlan Swain、Santosh Kumar Sahu、Ajeena Sahoo、Laxmidhar Rout

  DOI：10.1039/d3nj04319c

  日期：——

  We have developed a simple and direct method for the synthesis of diaryl ether under mild reaction conditions using an oxygen bridged bimetallic CuMoO4 nanocatalyst. The catalyst tolerated a wide range of substrates with various functional groups. The catalyst is efficient and recyclable. This methodology allowed easy access to nitrofen derivatives (herbicides) from unactivated 2,4-dichlorophenol,

  我们开发了一种简单直接的方法，使用氧桥双金属 CuMoO 4纳米催化剂在温和的反应条件下合成二芳基醚。该催化剂能耐受多种具有各种官能团的底物。该催化剂高效且可回收。这种方法可以很容易地从未活化的 2,4-二氯苯酚中获得除草剂衍生物（除草剂），这对农业和制药很重要。