3-氟-2,4-二甲氧基苯胺 | 195136-66-4

• 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: 3-氟-2,4-二甲氧基苯胺
• 英文名称: 3-fluoro-2,4-dimethoxyaniline
• 英文别名: 1-amino-3-fluoro-2,4-dimethoxybenzene
• CAS: 195136-66-4
• 化学式: C₈H₁₀FNO₂
• mdl: MFCD09258660
• 分子量: 171.171
• InChiKey: VAILCKGWMRWFBD-UHFFFAOYSA-N

物化性质

• 沸点：
  286.2±35.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2922299090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluoro-2,4-dimethoxyaniline
Synonyms:

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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: 3-Fluoro-2,4-dimethoxyaniline
CAS number: 195136-66-4

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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, refrigerated.
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: C8H10FNO2
Molecular weight: 171.2

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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, hydrogen fluoride.

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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：

  3-氟-2,4-二甲氧基苯胺 在 盐酸 、 三溴化硼 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.25h， 生成 2-氟-1,3-苯二酚
  参考文献：
  名称：

  绿色小单孢菌唾液酸酶催化水解的去糖基化会限制周转率：Michaelis 复合物的构象意义

  摘要：

  基于核心结构 7-(5-acetamido-3,5-dideoxy-d-glycero-α-d-galacto-non-2-ulopyranosylonic acid)-(2→6) 的一组七种同位素取代的唾液酸苷天然底物类似物)-β-D-吡喃半乳糖氧基)-8-氟-4-甲基香豆素 (1, Neu5Acα2,6GalβFMU) 已被合成并用于探测 M. viridifaciens 唾液酸酶转换的限速步骤。环氧 ((18)V)、离去基团氧 ((18)V)、异头碳 ((13)V)、C3-碳 ((13) V)、C3-R 氘 ((D)V(R))、C3-S 氘 ((D)V(S)) 和 C3-双氘 ((D)(2)V) 为 0.986 ± 0.003、1.003分别为 ± 0.005、1.021 ± 0.006、1.001 ± 0.008、1.029 ± 0.007、0.891 ± 0.008 和 0.890

  DOI：

  10.1021/ja109199p
• 作为产物：
  描述：

  2-氟-1,3-二甲氧基-4-硝基苯 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 7.0h， 以100%的产率得到3-氟-2,4-二甲氧基苯胺
  参考文献：
  名称：

  绿色小单孢菌唾液酸酶催化水解的去糖基化会限制周转率：Michaelis 复合物的构象意义

  摘要：

  基于核心结构 7-(5-acetamido-3,5-dideoxy-d-glycero-α-d-galacto-non-2-ulopyranosylonic acid)-(2→6) 的一组七种同位素取代的唾液酸苷天然底物类似物)-β-D-吡喃半乳糖氧基)-8-氟-4-甲基香豆素 (1, Neu5Acα2,6GalβFMU) 已被合成并用于探测 M. viridifaciens 唾液酸酶转换的限速步骤。环氧 ((18)V)、离去基团氧 ((18)V)、异头碳 ((13)V)、C3-碳 ((13) V)、C3-R 氘 ((D)V(R))、C3-S 氘 ((D)V(S)) 和 C3-双氘 ((D)(2)V) 为 0.986 ± 0.003、1.003分别为 ± 0.005、1.021 ± 0.006、1.001 ± 0.008、1.029 ± 0.007、0.891 ± 0.008 和 0.890

  DOI：

  10.1021/ja109199p

文献信息

• [EN] 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS<br/>[FR] 1-HYDROXY-BENZOOXABOROLES COMME AGENTS ANTIPARASITAIRES
  申请人：LILLY CO ELI

  公开号：WO2014149793A1

  公开（公告）日：2014-09-25

  Provided are compounds useful for controlling endoparasites both in animals and agriculture. Further provided are methods for controlling endoparasite infestations of an animal by administering an effective amount of a compound as described above, or a pharmaceutically acceptable salt thereof, to an animal, as well as formulations for controlling endoparasite infestations using the compounds described above or an acceptable salt thereof, and an acceptable carrier. The claimed compounds are described by the following Markush formula:A typical example for a compound according to above formula is: A typical example for a compound according to above formula is:

  提供了一些在动物和农业中控制内寄生虫的化合物。此外，还提供了一种通过向动物施用上述化合物或其药学上可接受的盐的有效量来控制动物内寄生虫侵染的方法，以及使用上述化合物或其可接受的盐以及可接受的载体来控制内寄生虫侵染的配方。所述的化合物由以下Markush公式描述：根据上述公式的化合物的典型示例是：
• Dual Inhibition of Mnk2 and FLT3 for potential treatment of acute myeloid leukaemia
  作者：Sarah Diab、Ahmad M. Abdelaziz、Peng Li、Theodosia Teo、Sunita K.C. Basnet、Ben Noll、Muhammed H. Rahaman、Jingfeng Lu、Jinqiang Hou、Mingfeng Yu、Bich T. Le、Hugo Albrecht、Robert W. Milne、Shudong Wang

  DOI：10.1016/j.ejmech.2017.08.006

  日期：2017.10

  Herein, we propose that a dual inhibition of FLT3 and Mnk would provide a better clinical option for AML patients compared to targeting FLT3 alone. Thus, a series of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amines and 4-(indol-3-yl)-N-phenylpyrimidin-2-amines were prepared. Potent Mnk2 inhibitors, FLT3 inhibitors, and dual inhibitors of Mnk2 and FLT3 were identified and their anti-proliferative activities

  迫切需要发现新型抗AML治疗药物，但该疾病复杂的异质性迄今阻碍了治疗方法的发展。FLT3抑制剂已在临床试验中显示出治疗潜力。但单药疗法已与由并行信号通路（包括MAPK和mTOR）激活介导的耐药性相关。因此，抑制两个信号通路的联系以及抑制FLT3可能是有利的。在本文中，我们建议与单独靶向FLT3相比，对FLT3和Mnk的双重抑制将为AML患者提供更好的临床选择。因此，一系列的N-苯基-4-（噻唑-5-基）嘧啶-2-胺和4-（吲哚-3-基）-N制备了-苯基嘧啶-2-胺。确定了有效的Mnk2抑制剂，FLT3抑制剂以及Mnk2和FLT3的双重抑制剂，并评估了它们对MV4-11 AML细胞系的抗增殖活性。与单独抑制FLT3或Mnk2相比，对FLT3和Mnk2的双重抑制导致MV4-11细胞凋亡的细胞死亡增加。
• Fluorinated xanthene derivatives
  申请人：Molecular Probes, Inc.

  公开号：US06162931A1

  公开（公告）日：2000-12-19

  The family of dyes of the invention are fluoresceins and rhodols that are directly substituted on one or more aromatic carbons by fluorine. These fluorine-substituted fluorescent dyes possess greater photostability and have lower sensitivity to pH changes in the physiological range of 6-8 than do non-fluorinated dyes, exhibit less quenching when conjugated to a substance, and possess additional advantages. The dyes of the invention are useful as detectable tracers and for preparing conjugates of organic and inorganic substances.

  该发明的染料家族是直接在一个或多个芳香碳上被氟取代的荧光素和罗丹素。这些氟取代的荧光染料具有更高的光稳定性，在生理范围为6-8的pH变化下比非氟化染料具有较低的敏感性，当与物质结合时表现出较少的猝灭，并具有额外的优势。该发明的染料可用作可检测的示踪剂，并用于制备有机和无机物质的共轭物。
• [EN] 8-FLUORO-4-ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDE, BIOLOGICAL STERILIZATION INDICATOR INCLUDING THE SAME AND ITS USE IN A METHOD OF DETERMINING EFFICACY OF A STERILIZATION PROCESS<br/>[FR] 8-FLUORO-4-ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDE, INDICATEUR DE STÉRILISATION BIOLOGIQUE LE COMPRENANT ET SON UTILISATION DANS UN PROCÉDÉ DE DÉTERMINATION DE L'EFFICACITÉ D'UN PROCÉDÉ DE STÉRILISATION
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2021059058A1

  公开（公告）日：2021-04-01

  A self-contained biological sterilization indicator comprises: a housing; bacterial spores comprising, and/or capable of producing, an enzyme capable of catalyzing cleavage of an enzyme substrate; and a frangible container containing a composition, wherein the composition comprises the enzyme substrate, wherein if the frangible container is broken the composition will contact the bacterial spores to form a mixture having an initial pH in the range from 6.0 to 9.0. The enzyme substrate comprises a fluorinated 4'-alkylumbelliferyl α-D-glucopyranoside represented by the structural formula (I), wherein R is an alkyl group having from 1 to 12 carbon atoms. A biological sterilization indicator comprising a kit containing isolated components comprising (i) bacterial spores comprising, and/or capable of producing, an enzyme capable of catalyzing cleavage of the enzyme substrate and a method of assessing efficacy of a sterilization process are also disclosed.

  一个独立的生物灭菌指示器包括：一个外壳；包含细菌孢子的、和/或能够产生能够催化酶底物裂解的酶的细菌孢子；以及一个易碎容器，其中容器内含有一种组合物，该组合物包括酶底物，如果易碎容器破裂，组合物将接触细菌孢子形成具有初始pH在6.0至9.0范围内的混合物。酶底物包括由结构式(I)表示的氟化的4'-烷基炔香豆蔻基α-D-葡萄糖苷，其中R是具有1至12个碳原子的烷基基团。还公开了一种包含孤立组分的套件的生物灭菌指示器，其中组分包括（i）包含细菌孢子的、和/或能够产生能够催化酶底物裂解的酶的细菌孢子，以及一种评估灭菌过程有效性的方法。
• BICYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20140243310A1

  公开（公告）日：2014-08-28

  The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种由以下公式（I）表示的化合物：其中每个符号如规范中定义的，或其盐。