4’-异丙基乙酰苯胺 | 5702-74-9

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: 4’-异丙基乙酰苯胺
• 中文别名: 4'-异丙基乙酰苯胺；N-(4-异丙基苯)-乙酰胺；4-异丙基乙酰苯胺
• 英文名称: N-(4-iso-propylphenyl)acetamide
• 英文别名: p-Acetylcumidin；N-(4-isopropylphenyl)acetamide；N-(4-propan-2-ylphenyl)acetamide
• CAS: 5702-74-9
• 化学式: C₁₁H₁₅NO
• mdl: MFCD00026406
• 分子量: 177.246
• InChiKey: BQZWLSZGPBNHDA-UHFFFAOYSA-N

物化性质

• 熔点：
  101-103°C
• 稳定性/保质期：
  在常温常压下，该物质保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S36/37/39
• 危险类别码：
  R22
• 储存条件：
  常温、避光、存放在阴凉干燥处，并密封保存。

SDS

Name:	N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet
Synonym:	4-Isopropylacetanilid
CAS:	5702-74-9

Section 1 - Chemical Product MSDS Name:N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet
Synonym:4-Isopropylacetanilid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5702-74-9	N1-(4-Isopropylphenyl)acetamide	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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# 5702-74-9: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 101 - 103 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: C11H15NO
Molecular Weight: 177

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, strong oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5702-74-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-(4-Isopropylphenyl)acetamide - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 5702-74-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5702-74-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5702-74-9 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：

  4’-异丙基乙酰苯胺 在 溴 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 1.5h， 生成 2-溴-4-异丙基苯胺
  参考文献：
  名称：

  铜催化的对映选择性共轭加成的α，β-不饱和醛与各种有机金属试剂

  摘要：

  致力于纪念Jean F. Normant教授（1936–2016） 抽象的 β取代的醛构成自然界中非常重要的一类化合物。该基序的合成可以通过在烯醛上形成C–C键来实现。为此，我们在本文中报道了以（R）-H 8 BINAP，（R）-TolBINAP和（R）-SEGPHOS为手性的各种有机金属试剂向α，β-不饱和醛的对映选择性铜催化共轭加成反应的发展。配体。成功开发了三套条件，并使用了几种Enals。反应性以及区域和对映体选择性强烈取决于反应条件和底物。用锌试剂R 2获得良好至优异的区域和对映选择性，锌和铝试剂R 3铝 然而，格氏试剂的不对称共轭添加仅提供中等至良好的区域选择性和对映选择性。 β取代的醛构成自然界中非常重要的一类化合物。该基序的合成可以通过在烯醛上形成C–C键来实现。为此，我们在本文中报道了以（R）-H 8 BINAP，（R）-TolBINAP和（R）-SEGPHOS为手性的各

  DOI：

  10.1055/s-0035-1562487
• 作为产物：
  描述：

  4-异丙基苯胺 在 乙酸酐 作用下， 以 氯仿 为溶剂， 生成 4’-异丙基乙酰苯胺
  参考文献：
  名称：

  Use of an organic matrix material for producing an organic semiconductor material, organic semiconductor material and electronic component

  摘要：

  本发明涉及使用有机基质材料制备有机半导体材料，其特征在于所述有机基质材料至少部分由螺二芴化合物组成，且该有机基质材料的玻璃转移温度为至少120℃，基质材料的最高占据分子轨道（HOMO）能级为5.4电子伏特的最大能量水平；还涉及有机半导体材料和电子元件。

  公开号：

  US20060049397A1

文献信息

• SO₂ F₂ -Activated Efficient Beckmann Rearrangement of Ketoximes for Accessing Amides and Lactams
  作者：Guofu Zhang、Yiyong Zhao、Lidi Xuan、Chengrong Ding

  DOI：10.1002/ejoc.201900844

  日期：2019.8.15

  A novel protocol for the efficient activation of the Beckmann rearrangement utilizing the readily available sulfuryl fluoride (SO2F2 gas) is reported. The substrate scope of this methodology has been demonstrated by 37 examples with good to nearly quantitative isolated yields in a short time. A tentative mechanism was proposed involving formation and elimination of sulfonyl ester.

  报道了一种利用容易获得的硫酰氟（SO 2 F 2气体）有效激活贝克曼重排的新方案。该方法的底物范围已通过37个实例证明，并在短时间内获得了良好至近乎定量的分离产率。提出了一种尝试性的机制，涉及形成和消除磺酰基酯。
• 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds
  申请人：Maruishi Pharmaceutical Co., Ltd.

  公开号：US06541470B1

  公开（公告）日：2003-04-01

  The present invention relates to substituted 1,4-dihydro-4-oxoquinolines having antiviral activity. The substituents are present at positions 1, 2 and at least one of 5-8 positions of the quinoline ring.

  本发明涉及具有抗病毒活性的取代的1,4-二氢-4-氧喹啉。这些取代基位于喹啉环的1、2位置以及5-8位置中的至少一个位置。
• Selective Oxidative Coupling Reaction of Isocyanides Using Peroxide as Switchable Alkylating and Alkoxylating Reagent
  作者：Xinglu Zhang、Zhiqiang Liu、Yu Gao、Feng Li、Yaming Tian、Chunju Li、Xueshun Jia、Jian Li

  DOI：10.1002/adsc.201700953

  日期：2018.1.17

  A switchable oxidative coupling reaction of isocyanide and peroxide has been disclosed. In the presence of iron catalyst, the coupling reaction affords N‐arylacetamides in good yields. By simply replacing the iron with copper catalyst, another different coupling reaction takes place in which peroxide can serve as alkoxylating source. This protocol represents a new fundamental coupling of two basic

  已经公开了异氰酸酯和过氧化物的可切换的氧化偶联反应。在铁催化剂存在下，偶联反应可提供高收率的N-芳基乙酰胺。通过简单地用铜催化剂代替铁，就会发生另一种不同的偶联反应，其中过氧化物可以用作烷氧基化源。该协议代表了涉及C-C和C-O键形成过程的两种基本化学物质的新的基本耦合。自由基反应中异氰基的异常反应也已正式确立，而自由基反应在形式上起酰胺基合成子的作用。实验结果表明，在目前的偶联反应中，芳族异氰酸酯是特别相容的反应伙伴，而当使用脂族异氰酸酯时，没有观察到所需的产物。
• One-step reductive amidation of nitro arenes: application in the synthesis of Acetaminophen™
  作者：Apurba Bhattacharya、Vikram C. Purohit、Victor Suarez、Ritesh Tichkule、Gaurang Parmer、Frank Rinaldi

  DOI：10.1016/j.tetlet.2005.09.196

  日期：2006.3

  A novel thioacetate mediated one-step reductive acetamidation of aryl nitro compounds was developed and applied to an efficient synthesis of acetaminophen. The reaction also proceeds well without a solvent in the presence of a catalytic amount of surfactant.

  开发了一种新型的硫代乙酸酯介导的芳基硝基化合物一步还原乙酰胺化方法，并将其用于对乙酰氨基酚的有效合成。在催化量的表面活性剂的存在下，该反应在没有溶剂的情况下也能进行得很好。
• [EN] GCN2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2019148132A1

  公开（公告）日：2019-08-01

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

  本发明提供了化合物、其组合物以及使用它们的方法。

表征谱图