4-(4-硝基苯基磺酰基)吗啉 | 1024-30-2

• 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-(4-硝基苯基磺酰基)吗啉
• 中文别名: 4-(4-硝基苯基磺酰基)吗啉,97
• 英文名称: 4-(4-nitrobenzenesulfonyl)morpholine
• 英文别名: 4-((4-nitrophenyl)sulfonyl)morpholine；4-[(4-Nitrophenyl)sulfonyl]morpholine；4-(4-nitrophenyl)sulfonylmorpholine
• CAS: 1024-30-2
• 化学式: C₁₀H₁₂N₂O₅S
• mdl: MFCD00277217
• 分子量: 272.282
• InChiKey: ORGHDHBPWCKATA-UHFFFAOYSA-N

物化性质

• 熔点：
  173 °C
• 沸点：
  458.4±55.0 °C(Predicted)
• 密度：
  1.450±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 储存条件：
  2-8°C

SDS

Name:	4-[(4-Nitrophenyl)sulfonyl]morpholine 97% Material Safety Data Sheet
Synonym:
CAS:	1024-30-2

Section 1 - Chemical Product MSDS Name:4-[(4-Nitrophenyl)sulfonyl]morpholine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1024-30-2	4-[(4-Nitrophenyl)sulfonyl]morpholine	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1024-30-2: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168 - 170 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: C10H12N2O5S
Molecular Weight: 272

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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, reducing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1024-30-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-[(4-Nitrophenyl)sulfonyl]morpholine - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1024-30-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1024-30-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1024-30-2 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-(4-硝基苯基磺酰基)吗啉 在 palladium on activated charcoal 、 氢气 作用下， 以 水 为溶剂， 55.0 ℃ 、101.33 kPa 条件下， 以76%的产率得到4-(吗啉磺酰)苯胺
  参考文献：
  名称：

  用于水中硝基基团还原的高转化率 Pd/C 催化剂。医药中间体的一锅法序列和合成

  摘要：

  市售的 Pd/C 可用作硝基还原的催化剂，Pd 负载仅为 0.4 mol%。该反应可以使用硅烷作为转移氢化剂或简单的氢气球（~1 个大气压）进行。使用这项技术，一系列硝基化合物以高化学产率被还原为所需的胺。催化剂和表面活性剂都循环多次，反应性没有损失。

  DOI：

  10.1021/acs.orglett.1c03258
• 作为产物：
  描述：

  4-(吗啉磺酰基)苯硼酸 在 硝酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以48%的产率得到4-(4-硝基苯基磺酰基)吗啉
  参考文献：
  名称：

  用发烟硝酸对芳基硼酸进行 Ipso 硝化

  摘要：

  使用发烟硝酸作为硝化剂，已经开发了芳基硼酸衍生物的原位硝化。这种简便的程序提供了对各种芳族硝基化合物的有效和化学选择性访问。虽然文献中已经报道了几种活化剂和硝基源可用于这种综合有用的转化，但本报告表明这些过程可能会产生一种常见的活性试剂无水 HNO 3。动力学和机理研究表明，HNO 3中的反应级数大于2，表明• NO 2自由基是活性物质。

  DOI：

  10.1021/acs.joc.1c00886

文献信息

• [EN] NOVEL TETRAHYDROQUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS INÉDITS DE LA TÉTRAHYDROQUINOLINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012101068A1

  公开（公告）日：2012-08-02

  A compound of formula (I) or a pharmaceutically acceptable salt or ester thereof, wherein R1 to R8, A1 to A3 have the significance given in claim 1, can be used as AMPK modulators for treating obesity, hyperglycemia or type 2 diabetes.

  化合物的化学式（I）或其药用可接受的盐或酯，其中R1至R8，A1至A3具有权利要求1中给定的含义，可用作AMPK调节剂，用于治疗肥胖症、高血糖或2型糖尿病。
• Highly efficient metal-free one-pot synthesis of <font>α</font>-aminophosphonates through reduction followed by Kabachnik–fields reaction using three-component system
  作者：Murali Krishna Kolli、Palani Elamathi、Govindasamy Chandrasekar、Vishweshwar Rao Katta、Gajendrasinh Balvantsinh Raolji

  DOI：10.1080/00397911.2017.1385083

  日期：2018.3.19

  ABSTRACT One-pot synthesis of α-aminophosphonates directly from aryl nitro compounds, aldehydes/ketones, and diethyl phosphite using sodium dithionite through reduction and followed by Kabachnik–Fields reaction under metal-free conditions is reported. The major advantages are excellent yield, high chemoselectivity, neutral reaction medium, and simple experimental procedure. This methodology consists

  摘要报道了使用连二亚硫酸钠通过还原，然后在无金属条件下进行 Kabachnik-Fields 反应，直接从芳基硝基化合物、醛/酮和亚磷酸二乙酯一锅法合成 α-氨基膦酸酯。主要优点是收率高、化学选择性高、反应介质中性、实验过程简单。该方法包括以下步骤：1) 硝基化合物形成胺，2) 胺和醛/酮形成亚胺，3) 磷酸盐加成到亚胺。图形概要
• Potassium tert-butoxide-mediated metal-free synthesis of sulfonamides from sodium sulfinates and N,N-disubstituted formamides
  作者：Xiaodong Bao、Xiaona Rong、Zhiguo Liu、Yugui Gu、Guang Liang、Qinqin Xia

  DOI：10.1016/j.tetlet.2018.06.031

  日期：2018.7

  By using formamides as amine sources, a novel and efficient KO-t-Bu mediated amination of sodium sulfinates has been developed. The reaction utilizes readily available starting materials under metal-free conditions, thus providing an alternative and attractive route to sulfonamides.

  通过使用甲酰胺作为胺源，一种新颖且有效的KO-吨-Bu介导的胺化钠的亚磺酸盐已经研制成功。该反应在无金属的条件下利用容易获得的起始原料，从而提供了另一种诱人的磺酰胺途径。
• NOVEL TETRAHYDROQUINOLINE DERIVATIVES
  申请人：Feng Lichun

  公开号：US20120190677A1

  公开（公告）日：2012-07-26

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt or ester thereof, wherein R 1 to R 8 , A 1 to A 3 have the are as described herein and compositions including the compounds.

  本发明涉及公式（I）的化合物或其药学上可接受的盐或酯，其中R1至R8，A1至A3如本文所述，并包括该化合物的组合物。
• “TPG-lite”: A new, simplified “designer” surfactant for general use in synthesis under micellar catalysis conditions in recyclable water
  作者：Ruchita R. Thakore、Balaram S. Takale、Yuting Hu、Selene Ramer、Jakub Kostal、Fabrice Gallou、Bruce H. Lipshutz

  DOI：10.1016/j.tet.2021.132090

  日期：2021.5

  Using the oxidized, carboxylic acid-containing form of MPEG-750, esterification with racemic vitamin E affords a new surfactant (TPG-lite) that functions as an enabling, nanoreactor-forming amphiphile for use in many types of important reactions in synthesis. The presence of a single ester bond is suggestive of simplified treatment as a component of (eventual) reaction waste water, after recycling

  使用氧化的，含羧酸的形式的MPEG-750，与外消旋维生素E酯化可得到一种新型的表面活性剂（TPG-lite），该表面活性剂可作为形成纳米反应器的两亲物，可用于合成中许多类型的重要反应。单个酯键的存在暗示了在循环后作为（最终）反应废水成分的简化处理。许多类型的反应，包括胺化，铃木-宫浦，S Ñ将Ar和其他几种元素直接与TPGS-750-M进行比较，得出的结论是，TPG-lite可以在水中充当等效的形成纳米胶束的表面活性剂。通过DLS和冷冻TEM分析收集的初步证据支持了这些实验观察。在计算机上对TPG-lite的水生毒性和致癌性进行的评估表明，它是安全使用的。