4-氟-N-甲基苯磺酰胺 | 433-14-7

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 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-氟-N-甲基苯磺酰胺
• 中文别名: N-甲基4-氟苯磺酰胺
• 英文名称: 4-fluoro-N-methyl-benzenesulfonamide
• 英文别名: 4-fluoro-N-methylbenzenesulphonamide；4-fluoro-N-methylbenzenesulfonamide
• CAS: 433-14-7
• 化学式: C₇H₈FNO₂S
• mdl: MFCD01211989
• 分子量: 189.21
• InChiKey: RDRBNXNITJCMPV-UHFFFAOYSA-N

物化性质

• 熔点：
  56-58
• 沸点：
  278.8±42.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Methyl 4-fluorobenzenesulfonamide
Synonyms: 4-Fluoro-N-methylbenzenesulfonamide

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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: N-Methyl 4-fluorobenzenesulfonamide
CAS number: 433-14-7

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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: C7H8FNO2S
Molecular weight: 189.2

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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, sulfur 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  4-氟苯磺酰胺	4-fluorophenylsulphonamide	402-46-0	C6H6FNO2S	175.184

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	4,4'-dithiobis-N-methylbenzenesulfonamide	917761-25-2	C14H16N2O4S4	404.556
  ——	N-benzyl-4-fluoro-N-methylbenzenesulfonamide	346692-36-2	C14H14FNO2S	279.335

反应信息

• 作为反应物：
  描述：

  4-氟-N-甲基苯磺酰胺 在 sodium hydrogensulfide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 5.5h， 生成 4,4'-dithiobis-N-methylbenzenesulfonamide
  参考文献：
  名称：

  Indolizine Derivatives

  摘要：

  化合物的结构（I）是CRTH2受体的配体，可用于治疗呼吸系统疾病：结构（I）中R1，R2，R3和R4分别为氢，C1C6烷基，完全或部分氟化的C1C6烷基，卤素，—S(O)nR10，—SO2N(R10)2，—N(R10)2，—C(O)N(R10)2，—NR10C(O)R9，—CO2R10，—C(O)R9，—NO2，—CN或—OR11；其中每个R9独立地为C1C6烷基，芳基，杂环芳基；R10独立地为氢，C1C6烷基，芳基或杂环芳基；R11为氢，C1C6烷基，完全或部分氟化的C1C6烷基或一个基团—SO2R9；n为0，1或2；R5为C1C6烷基，完全或部分氟化的C1C6烷基，C1C6烯基，C1C6炔基，可选地取代的芳基或可选地取代的杂环芳基；R6为氢，C1C6烷基或完全或部分氟化的C1C6烷基；R7和R5独立地为氢或C1C6烷基，或R7和R5与它们连接的原子一起形成环烷基；X为—CHR6—，—S(O)n—，—NR6SO2—或—SO2NR6—其中n为0，1或2。

  公开号：

  US20090163534A1
• 作为产物：
  描述：

  过氧化二异丙苯 、 4-氟苯磺酰胺 在 copper acetylacetonate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 以83%的产率得到4-氟-N-甲基苯磺酰胺
  参考文献：
  名称：

  过氧化二枯基铜催化磺酰胺的铜催化氧化甲基化

  摘要：

  （2021年）。过氧化二枯基铜催化磺酰胺的铜催化氧化甲基化。综合通信：第一卷。51，第6号，第935-942页。

  DOI：

  10.1080/00397911.2020.1859118

文献信息

• Pteridinone derivatives as PI3-kinases inhibitors
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1953163A1

  公开（公告）日：2008-08-06

  New compounds of formula 1 are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。
• Transition-Metal-Free One-Step Synthesis of Ynamides
  作者：Xianzhu Zeng、Yongliang Tu、Zhenming Zhang、Changming You、Jiao Wu、Zhiying Ye、Junfeng Zhao

  DOI：10.1021/acs.joc.8b03192

  日期：2019.4.5

  A robust transition-metal-free one-step strategy for the synthesis of ynamides from sulfonamides and (Z)-1,2-dichloroalkenes or alkynyl chlorides is presented. This method is not only effective for internal ynamides but also amenable for terminal ynamides. Various functional groups, even the vinyl moiety, are compatible, and thus, this strategy offers the opportunity for further functionalization.

  提出了一种强大的无过渡金属的一步法，用于从磺酰胺和（Z）-1,2-二氯烯烃或炔基氯化物合成乙酰胺。该方法不仅对内部的神经酰胺有效，而且对末端的神经酰胺也适用。各种官能团，甚至乙烯基部分都是相容的，因此，该策略提供了进一步官能化的机会。
• [EN] NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION<br/>[FR] NOUVELLES TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES POUR LE TRAITEMENT ET LA PRÉVENTION D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016107832A1

  公开（公告）日：2016-07-07

  The invention provides novel compounds having the general formula (I): wherein R1, R2, R3, Q, U,W, Z, X and Y are as described herein, compositions including the compounds and methods of using the compounds. These compounds are HbsAg inhibitors and are useful as medicaments for the treatment or prophylaxis of HBV infection.

  这项发明提供了具有一般式（I）的新化合物：其中R1、R2、R3、Q、U、W、Z、X和Y如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。这些化合物是HbsAg抑制剂，可用作治疗或预防HBV感染的药物。
• Poly (ADP-Ribose) Polymerase (PARP) Inhibitors
  申请人：Gangloff Anthony R.

  公开号：US20100190763A1

  公开（公告）日：2010-07-29

  Disclosed are compounds of the following formula: in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, and t are defined in the specification. Also disclosed are pharmaceutical compositions, kits, and articles of manufacture, which contain the compounds, methods and intermediates useful for making the compounds, and methods of using the compounds to treat diseases, disorders, and conditions related to PARP activity.

  披露了以下公式的化合物： 其中R1、R2、R3、R4、R5、R6、R7、X和t在规范中定义。还披露了含有这些化合物的药物组合物、试剂盒和制造物品，以及用于制备这些化合物的方法和中间体，以及使用这些化合物治疗与PARP活性相关的疾病、紊乱和状况的方法。
• Heterocyclic compounds for the treatment of CNS and cardiovascular
  申请人：Pharmacia & Upjohn Company

  公开号：US05877317A1

  公开（公告）日：1999-03-02

  Novel aromatic bicyclic amines of formula (I) ##STR1## are useful in treating central nervous system disorders and cardiac arrhythmias and cardiac fibrillation.

  新型芳香族双环胺化合物的化学式（I）##STR1## 在治疗中枢神经系统疾病、心律失常和心房颤动方面具有用处。