4-(2-甲基-4-硝基苯基)-吗啉 | 223404-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(2-甲基-4-硝基苯基)-吗啉
• 英文名称: 3-methyl-4-(morpholin-4-yl)nitrobenzene
• 英文别名: 4-(2-methyl-4-nitrophenyl)morpholine；4-(2-methyl-4-nitro-phenyl)-morpholine；4-(2-methyl-4-nitrophenyl)-morpholine
• CAS: 223404-63-5
• 化学式: C₁₁H₁₄N₂O₃
• mdl: MFCD11039650
• 分子量: 222.244
• InChiKey: LQPUAYMERQENBC-UHFFFAOYSA-N

物化性质

• 沸点：
  399.8±42.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  储存条件：2-8°C，干燥且密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Morpholino-5-nitrotoluene
Synonyms: 4-(2-Methyl-4-nitrophenyl)morpholine

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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: 2-Morpholino-5-nitrotoluene
CAS number: 223404-63-5

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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: C11H14N2O3
Molecular weight: 222.2

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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, nitrogen oxides.

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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

反应信息

• 作为反应物：
  描述：

  4-(2-甲基-4-硝基苯基)-吗啉 在 platinum(IV) oxide sodium azide 、 水 、 氢气 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~65.0 ℃ 、196.12 kPa 条件下， 反应 22.0h， 生成 (5S)-5-(aminomethyl)-3-(3-methyl-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  恶唑烷酮抗菌剂的构效关系（SAR）研究。2.在5-硫代羰基恶唑烷酮中亲脂性与抗菌活性之间的关系。

  摘要：

  考虑到分子的疏水性参数，对5-硫代羰基恶唑烷酮抗菌剂的研究继续进行，合成了5-硫脲和5-二硫代氨基甲酸酯恶唑烷酮。结构-活性关系（SAR）研究表明，亲脂性显着影响对5-硫代羰基恶唑烷酮的抗菌活性，尤其是计算出的log P值以及5-亲水（或疏水）取代基与疏水（或亲水）之间的平衡苯环上的取代基。发现一些5-硫代羰基恶唑烷酮对革兰氏阳性细菌具有良好的体外抗菌活性，包括耐甲氧西林的金黄色葡萄球菌（MRSA）和耐万古霉素的肠球菌（VRE）。

  DOI：

  10.1248/cpb.49.353
• 作为产物：
  描述：

  吗啉 、 2-氟-5-硝基甲苯 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 4-(2-甲基-4-硝基苯基)-吗啉
  参考文献：
  名称：

  恶唑烷酮抗菌剂的构效关系（SAR）研究。2.在5-硫代羰基恶唑烷酮中亲脂性与抗菌活性之间的关系。

  摘要：

  考虑到分子的疏水性参数，对5-硫代羰基恶唑烷酮抗菌剂的研究继续进行，合成了5-硫脲和5-二硫代氨基甲酸酯恶唑烷酮。结构-活性关系（SAR）研究表明，亲脂性显着影响对5-硫代羰基恶唑烷酮的抗菌活性，尤其是计算出的log P值以及5-亲水（或疏水）取代基与疏水（或亲水）之间的平衡苯环上的取代基。发现一些5-硫代羰基恶唑烷酮对革兰氏阳性细菌具有良好的体外抗菌活性，包括耐甲氧西林的金黄色葡萄球菌（MRSA）和耐万古霉素的肠球菌（VRE）。

  DOI：

  10.1248/cpb.49.353

文献信息

• [EN] COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS<br/>[FR] COMPOSÉS PERMETTANT DE RÉGULER LES VOIES FAK ET/OU SRC
  申请人：ASANA BIOSCIENCES LLC

  公开号：WO2015038417A1

  公开（公告）日：2015-03-19

  The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的可选择替代的融合吡啶和嘧啶双环化合物及其药用可接受盐。还提供了制备这些化合物的方法。通过向受试者投予一种或多种化合物的治疗有效量，这些化合物在共调节FAK和/或Src活性方面具有用处。通过这样做，这些化合物在治疗与FAK和/或Src途径失调相关的疾病方面具有有效性。这些化合物作为双重FAK和/或Src抑制剂表现出优势。可以使用这些化合物治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。
• [EN] MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS<br/>[FR] DERIVES DE MORPHOLINYLANILINOQUINAZOLINE UTILISES EN TANT QU'AGENTS ANTIVIRAUX
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2005105761A1

  公开（公告）日：2005-11-10

  Compounds of formula (Ia) are found to be active in inhibiting replication of flaviviridae viruses, wherein R1, R2, R3 and R4 are as defined in the claims.

  发现式(Ia)化合物在抑制黄病毒科病毒复制方面具有活性，其中R1、R2、R3和R4如权利要求中所定义。
• Dye compositions and methods of dyeing keratin fibers
  申请人：Wella Aktiengesellschaft

  公开号：US06379400B1

  公开（公告）日：2002-04-30

  The dye composition has a pH of 3 to 12 and contains water, alcohols and/or mixtures thereof as a solvent; from 0.01 to 10 percent by weight of at least one dye compound of formula (I), wherein R1 represents hydrogen or a methyl group and Y is an amino group of the formula —NHR2, and R2 is either a cyclopropyl group, a methoxyethyl group or a methoxypropyl group; OR wherein R1 represents hydrogen or a linear or branched alkyl group with 1 to 4 carbon atoms and Y represents a heterocyclic ring of formula (II): wherein X is a nitrogen atom or an oxygen atom and m is 1, 2 or 3 and n is 0 or 1; and from 0.5 to 30 percent by weight of at least one anionic, cationic, amphoteric and nonionic and/or zwitterionic surface-active substances and/or from 0.1 to 25 percent by weight of at least one thickener and/or from 0.1 to 5 percent by weight of at least one care material. A method of dyeing fibers using the composition is also described.

  染料组合物的pH值为3至12，含有水、醇或二者的混合物作为溶剂；至少一种化学式（I）的染料化合物，其重量百分比为0.01至10％，其中R1代表氢或甲基基团，Y是化学式—NHR2的氨基团，R2是环丙基基团、甲氧乙基基团或甲氧丙基基团之一；或者R1代表氢或1至4个碳原子的线性或支链烷基基团，Y代表化学式（II）的杂环环，其中X是氮原子或氧原子，m为1、2或3，n为0或1；以及至少一种阴离子、阳离子、两性离子和/或非离子表面活性物质的重量百分比为0.5至30％，至少一种增稠剂的重量百分比为0.1至25％，至少一种护理物质的重量百分比为0.1至5％。还描述了使用该组合物染色纤维的方法。
• 喹啉类衍生物及其制备方法和用途
  申请人：东莞东阳光科研发有限公司

  公开号：CN108690043B

  公开（公告）日：2019-10-18

  本发明涉及一种喹啉类衍生物，以及包含该类衍生物的组合物。本发明还涉及制备该类衍生物的方法，以及它们在预防或治疗有害真菌和杀灭害虫的用途。
• A Facile Oxidation of Tertiary Amines to Lactams by Using Sodium Chlorite: Process Improvement by Precise pH Adjustment with CO2
  作者：Changhu Chu、Chaoyang Liu、Haozhou Sun、Cheng Qin、Tiannuo Yang、Wenxian Zhang、Yuan Zhou、Yani Li、Zheng Robert Jia

  DOI：10.1055/s-0040-1719920

  日期：2022.6

  By using cheap and innocuous sodium chlorite, a series of tertiary amines have been oxidized to the corresponding lactams with good selectivity and high yield. In this method, neither transition-metal catalyst nor oxidant was used. In the oxidation step, the pH of the sodium chlorite was precisely adjusted to pH around 6 using CO2, such pH is a compromise between oxidative properties, chemical stability

  通过使用廉价、无害的亚氯酸钠，一系列叔胺被氧化成相应的内酰胺，具有良好的选择性和高收率。在该方法中，既不使用过渡金属催化剂，也不使用氧化剂。在氧化步骤中，使用 CO 2将亚氯酸钠的 pH 值精确调节到 6 左右，这样的 pH 值是氧化特性、化学稳定性和不需要的沉淀之间的折衷。此外，缓冲盐不是必需的，这使得这种氧化反应可以在安全和环境友好的条件下进行。