N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 | 3475-74-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酰亚胺
• 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: N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺
• 中文别名: N-(4-二甲基氨基-3,5-二硝基苯基)马来酰亚胺
• 英文名称: N-(4-(dimethylamino)-3,5-dinitrophenyl)maleimide
• 英文别名: N-(4-dimethylamino-3,5-dinitrophenyl)maleimide；Tuppi's maleimide；N-(4-dimethylamino-3,5-dinitro-phenyl)-maleimide；N-(4-Dimethylamino-3,5-dinitro-phenyl)-maleinimid；1-[4-(dimethylamino)-3,5-dinitrophenyl]-1H-pyrrole-2,5-dione；N-(4-dimethylamino-3,5-dinitrophenyl)-maleimide；1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione
• CAS: 3475-74-9
• 化学式: C₁₂H₁₀N₄O₆
• mdl: MFCD00005504
• 分子量: 306.235
• InChiKey: QPYAUURPGVXHFK-UHFFFAOYSA-N

物化性质

• 熔点：
  177-181 °C(lit.)
• 沸点：
  510.1±50.0 °C(Predicted)
• 密度：
  1.595±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  7

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
• WGK Germany：
  3

SDS

Name:	N-(4-Dimethylamino-3 5-dinitrophenyl)maleimide Material Safety Data Sheet
Synonym:	Tuppy's reagent
CAS:	3475-74-9

Section 1 - Chemical Product MSDS Name:N-(4-Dimethylamino-3 5-dinitrophenyl)maleimide Material Safety Data Sheet
Synonym:Tuppy's reagent

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3475-74-9	N-(4-Dimethylamino-3,5-dinitrophenyl)m		222-449-3

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. May cause chemical conjunctivitis.
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:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 3475-74-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 177 - 181 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: C12H10N4O6
Molecular Weight: 306.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 3475-74-9: ON5220000 LD50/LC50:
Not available.
Carcinogenicity:
N-(4-Dimethylamino-3,5-dinitrophenyl)maleimide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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# 3475-74-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3475-74-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3475-74-9 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：

  N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 、 卡托普利杂质8 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 0.5h， 生成 (S)-1-{3-[1-(4-Dimethylamino-3,5-dinitro-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-2-methyl-propionyl}-pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Determination of captopril in blood and urine by high-performance liquid chromatography.

  摘要：

  建立了一种测定生物液体中卡托普利[1-(D-3-巯基-2-甲基-1-氧代丙基)-L-脯氨酸]的新方法。卡托普利与对溴苯酰溴或 N-（4-二甲氨基-3, 5-二硝基苯基）马来酰亚胺（DDPM）发生反应，然后在反相柱上通过高效液相色谱法（HPLC）分离和测定加成产物。二硫化物是卡托普利的代谢产物，随尿液排出，用三丁基膦将其还原为卡托普利，再用 DDPM 将其捕获。这些加合物通过高效液相色谱法进行分离和测定。该方法可定量测定卡托普利在全血中 5-2000 纳克/毫升和尿液中 0.1-100 微克/毫升的含量，准确度和精密度令人满意。

  DOI：

  10.1248/cpb.29.150
• 作为产物：
  描述：

  N-<4-Dimethylamino-3,5-dinitro-phenyl>-maleinsaeure-monoamid 在 乙酸酐 作用下， 生成 N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺
  参考文献：
  名称：

  Burley; Haylett, Chemistry and industry, 1959, p. 1285

  摘要：

  DOI：

文献信息

• Construction of a Polyheterocyclic Benzopyran Library with Diverse Core Skeletons through Diversity-Oriented Synthesis Pathway
  作者：Sangmi Oh、Hwan Jong Jang、Sung Kon Ko、Yeonjin Ko、Seung Bum Park

  DOI：10.1021/cc100044w

  日期：2010.7.12

  In this study, a divergent and practical solid-phase parallel diversity-oriented synthesis (DOS) strategy was successfully applied for the construction of five discrete core skeletons embedded with privileged benzopyranyl substructure. The diversity of these core skeletons was expanded through the introduction of various substituents at the R, R(1), and R(2) positions from a single key intermediate

  在这项研究中，发散和实用的固相平行分集定向合成（DOS）策略已成功地应用于构建五个嵌入有特权苯并吡喃基亚结构的离散核骨架。这些核心骨架的多样性通过在五个不同途径中的单个关键中间体在R，R（1）和R（2）位置处引入各种取代基而得到扩展。更重要的是，我们通过使用库到库的概念，通过核心骨架本身的转换来有效地最大化了分子多样性，并创建了具有相同构件的独特小分子集合。构建了一个434个成员的多杂环苯并吡喃文库，规模约为10 mg，具有进一步多样化的潜力。无需进一步纯化，
• Multinuclear NMR studies and<i>ab initio</i>structure calculations of hindered phencyclone diels-alder adducts from symmetrical cyclic dienophiles: Cyclohexene, vinylene carbonate, vinylene trithiocarbonate and two<i>N</i>-aryl maleimides
  作者：Ronald Callahan、Orlando Ramirez、Kerstin Rosmarion、Robert Rothchild、Kevin C. Bynum

  DOI：10.1002/jhet.5570420522

  日期：2005.7

  resolution COSY45 spectra permitted rigorous proton NMR assignments. The 2D heteronuclear C-H chemical shift correlation spectra (HETCOR, XHCORR) were obtained for adducts 3a-d, allowing specific assignments for protonated carbons. Corrections to earlier proton NMR assignments for the vinylene carbonate adduct are given; results of the gated decoupling 13C NMR experiment for this adduct supported endo adduct

  从苯环酮1制备了一系列受阻Diels-Alder加合物，其具有各种不同寻常的对称环状双亲二烯体，包括环己烯2a。碳酸亚乙烯酯2b ; 三硫代碳酸亚乙烯酯2c ; 和Ñ -芳基的马来酰亚胺：ñ - （4-二甲基氨基- 3,5-二硝基苯基）马来酰亚胺（“Tuppy的马来酰亚胺”），2D ; 和N- [3,5-双（三氟甲基）苯基]马来酰亚胺2e。受阻高的加合物3a-e分别通过一维和二维NMR方法对质子，碳13和氟19进行了广泛表征。高分辨率COSY45光谱可进行严格的质子NMR分配。获得了加合物3a-d的2D杂核CH化学位移相关光谱（HETCOR，XHCORR），可以对质子化碳进行特定分配。给出了对碳酸亚乙烯酯加合物的较早的质子NMR赋值的校正。该加合物的门控解偶联13 C NMR实验的结果支持了内加合物的立体化学。加合物3c桥头苯基的相对质子化学位移相对于其他加合物而言，它似乎是异常的，这表明
• RESIN COMPOSITION AND SEMICONDUCTOR DEVICE BOARD
  申请人：Osaku Yumi

  公开号：US20140087136A1

  公开（公告）日：2014-03-27

  A resin composition which contains a binder resin (A), radiation-sensitive compound (B), silane-modified resin (C), and antioxidant (D), wherein a content of the silane-modified resin (C) is 0.1 to 150 parts by weight with respect to 100 parts by weight of the binder resin (A), a content of the antioxidant (D) is 0.1 to 10 parts by weight with respect to 100 parts by weight of the binder resin (A), and an amount of warping is 14 μm or less when using the resin composition to form a thickness 2 to 3 μm resin film and baking the formed resin film at 230° C. is provided.

  一种树脂组合物，包含粘合剂树脂（A），辐射敏感化合物（B），硅改性树脂（C）和抗氧化剂（D），其中硅改性树脂（C）的含量相对于100份粘合剂树脂（A）为0.1至150份重量，抗氧化剂（D）的含量相对于100份粘合剂树脂（A）为0.1至10份重量，并且使用该树脂组合物形成2至3μm厚度的树脂膜并在230°C下烘烤形成的树脂膜翘曲量为14μm或以下。
• Recombinant vectors for producing HCV envelope proteins
  申请人：Innogenetics N.V.

  公开号：EP1211315A1

  公开（公告）日：2002-06-05

  The present invention relates to a recombinant vectors encoding an HCV envelope E1 and/or E2 and/or E1/E2 protein encoding sequence. The invention also relates to recombinant nucleic acids comprising said HCV protein encoding sequences. The invention further relates to host cells transformed with said recombinant vectors, as well as recombinant HCV proteins expressed by said host cells and use thereof in diagnostic methods or kits or therapeutic or prophylactic methods of treatment of HCV or HCV vaccine compositions.

  本发明涉及一种编码HCV包膜E1和/或E2和/或E1/E2蛋白编码序列的重组载体。本发明还涉及包含所述 HCV 蛋白编码序列的重组核酸。本发明还涉及用所述重组载体转化的宿主细胞，以及由所述宿主细胞表达的重组 HCV 蛋白及其在 HCV 或 HCV 疫苗组合物的诊断方法或试剂盒或治疗或预防方法中的应用。
• MEANS OF STABILIZING COMPOSITIONS AND REAGENTS
  申请人：INTERNATIONAL REAGENTS CORPORATION

  公开号：EP1243928A1

  公开（公告）日：2002-09-25

  A means for stable preparing a composition, which comprises plasma component derived from human or animals, at least fibrinogen, which is blood coagulation factor, and factor V, is provided, and the composition prepared remains stable even when allowed to stand over one day or longer in a freeze-dried state, in freeze-thawed state, in a refrigerator, or under room temperature. By adding an inhibitor of Factor XIII in an effective amount for achieving the inhibitory effect, compositions comprising human or animal plasma components, at least fibrinogen and Factor V, which are blood coagulation factors, and reagents for measuring extrinsic coagulation factor for blood coagulation function comprising at least thromboplastin, Factor V and fibrinogen can be stabilized during preparation, storage and measurement.

  本发明提供了一种稳定制备组合物的方法，该组合物由来源于人或动物的血浆成分、至少是纤维蛋白原（血液凝固因子）和因子 V 组成，制备的组合物即使在冻干状态、冻融状态、冰箱或室温下放置一天或更长时间仍保持稳定。通过添加有效量的因子 XIII 抑制剂以达到抑制效果，包含人或动物血浆成分、至少纤维蛋白原和因子 V（这些都是血液凝固因子）的组合物，以及用于测量血液凝固功能的外凝血因子的试剂（至少包含凝血活酶、因子 V 和纤维蛋白原）可以在制备、储存和测量过程中保持稳定。

表征谱图