N,N-二乙基-3-硝基苯磺酰胺 | 6335-26-8

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 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,N-二乙基-3-硝基苯磺酰胺
• 中文别名: N,N-二乙基3-硝基苯磺酰胺
• 英文名称: 3-nitro-benzenesulfonic acid diethylamide
• 英文别名: 3-Nitro-benzolsulfonsaeure-diaethylamid；N,N-diethyl-3-(nitro)benzenesulfonamide；3-Nitro-N.N-Diaethyl-benzolsulfonamid；N,N-Diethyl-3-nitrobenzenesulfonamide
• CAS: 6335-26-8
• 化学式: C₁₀H₁₄N₂O₄S
• mdl: MFCD02918975
• 分子量: 258.298
• InChiKey: HOGKOBQIINJDJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N,N-Diethyl 3-nitrobenzenesulfonamide
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: N,N-Diethyl 3-nitrobenzenesulfonamide
CAS number: 6335-26-8

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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: C10H14N2O4S
Molecular weight: 258.3

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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, 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

反应信息

• 作为反应物：
  描述：

  N,N-二乙基-3-硝基苯磺酰胺 在 lithium aluminium tetrahydride 、 四氯化钛 作用下， 以 乙醚 为溶剂， 反应 0.42h， 以89%的产率得到N,N-二乙基-3-氨基苯磺酰胺
  参考文献：
  名称：

  LiAlH 4 / TiCl 4还原芳香族硝基化合物的简单合成苯胺

  摘要：

  已开发出快速有效的取代苯胺单步合成法。通过使用还原系统还原芳族硝基化合物，该还原系统是由过量的LiAlH 4对TiCl 4的作用所产生的。从相应的硝基化合物开始，以高收率和高纯度合成了被不同官能团取代的苯胺。所开发的方法适用于同时具有吸电子和给电子取代基的硝基芳族化合物。具有电子给体取代基的基材需要大量过量的LiAlH 4。制备的反应物体系的还原能力取决于所使用的LiAlH 4和TiCl 4的摩尔比。

  DOI：

  10.1016/j.tetlet.2015.07.089
• 作为产物：
  描述：

  二乙胺 、 3-硝基苯磺酰氯 在 水 、 盐酸 、 氯化钠 、 Sodium sulfate-III 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 2.0h， 以gave N,N-diethyl-3-(nitro)benzenesulfonamide (4.0 g)的产率得到N,N-二乙基-3-硝基苯磺酰胺
  参考文献：
  名称：

  Herbicidally active phenoxyalkanecarboxylic acid derivatives

  摘要：

  一种化合物的式子：##STR1## 其中Q.sup.1为CH或N；R为H或C.sub.1-C.sub.5烷基；X为H、卤素、CF.sub.3或NO.sub.2；Y为H或卤素；Z为--O--或--NH--；A为##STR2## 其中Q.sup.2和Q.sup.3都是CH或N；R.sup.1和R.sup.2都是H、C.sub.1-C.sub.5烷基、C.sub.1-C.sub.5烷氧基或C.sub.2-C.sub.6烷氧羰基；R.sup.3、R.sup.4和R.sup.5都是H或C.sub.1-C.sub.5烷基；R.sup.6为H、卤素或C.sub.1-C.sub.5烷基；R.sup.7、R.sup.8、R.sup.9和R.sup.10都是H或C.sub.1-C.sub.5烷基；R.sup.11为H、C.sub.1-C.sub.5烷基、C.sub.1-C.sub.5烷氧基、C.sub.2-C.sub.6烯基、C.sub.6-C.sub.10芳基、C.sub.7-C.sub.15芳氧烷基或C.sub.7-C.sub.15芳基烷基；R.sup.12和R.sup.13都是H或C.sub.1-C.sub.5烷基；R.sup.14为C.sub.1-C.sub.5烷基、C.sub.2-C.sub.6烯基、C.sub.5-C.sub.10芳基或C.sub.7-C.sub.15芳基烷基；或R.sup.13和R.sup.14共同形成C.sub.3-C.sub.4亚基；V.sup.1和V.sup.2都是H、卤素、NO.sub.2、CN或CF.sub.3；V.sup.3为卤素或CF.sub.3；W.sup.1为--O--或--NH--；W.sup.2为--(CH.sub.2).sub.n--，其中n为0或1，或CO；X.sup.1为卤素或其盐，其作为除草剂有效。

  公开号：

  US05205855A1

文献信息

• [EN] SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28<br/>[FR] 3-AMINO-4-MÉTHYLBENZÈNESULFONAMIDES SUBSTITUÉS EN TANT QU'INHIBITEURS À PETITES MOLÉCULES DE LA PROTÉASE 28 SPÉCIFIQUE À L'UBIQUITINE
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2022035804A1

  公开（公告）日：2022-02-17

  The present disclosure relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof and pharmaceutical composition comprising the compound of formula (I). The present composition also relates to methods treating a disease or disorder associated with ubiquitin-specific protease 28 (USP28), methods of treating cancer, and methods of inhibiting USP28.

  本公开涉及式(I)的化合物或其药用可接受盐，以及包含该式(I)化合物的药物组合物。本组合物还涉及治疗与泛素特异性蛋白酶28（USP28）相关的疾病或紊乱的方法，治疗癌症的方法，以及抑制USP28的方法。
• Piperazine urea derivatives for the treatment of endometriosis
  申请人：Kaufmann Ulrike

  公开号：US20080119471A1

  公开（公告）日：2008-05-22

  Use of a compound of the following formula (Ia): for the production of a medicament for the treatment of endometriosis in human wherein the treatment comprises administering to a human female in need of such treatment a therapeutically effective amount of said compound.

  使用以下化学式（Ia）的化合物制备治疗人类子宫内膜异位症的药物，其中治疗包括向需要此类治疗的女性人体内给予治疗有效量的该化合物。
• Chemokine inhibiting piperazine derivatives and their use to treat myocarditis
  申请人：Futamatsu Hideki

  公开号：US20050043318A1

  公开（公告）日：2005-02-24

  The present invention relates to piperazine derivatives of formulae Ia, Ib, Ic and Id and their use to treat myocarditis. where R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 , R 10 and Y are as defined herein.

  本发明涉及式 Ia、Ib、Ic 和 Id 的哌嗪衍生物及其治疗心肌炎的用途。 其中 R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 , R 10 和 Y 如本文所定义。
• Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma
  申请人：Choi Jin Sun

  公开号：US20050192282A1

  公开（公告）日：2005-09-01

  The present invention relates to piperazine derivatives of formulae Ia, Ib, Ic and Id and their use to treat multiple myeloma. where R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 , R 10 and Y are as defined herein.

  本发明涉及式 Ia、Ib、Ic 和 Id 的哌嗪衍生物及其治疗多发性骨髓瘤的用途。 其中 R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 , R 10 和 Y 如本文所定义。
• Studies in Chemotherapy. XIV. Antimalarials. The Synthesis of Substituted Metanilamides and Related Compounds¹
  作者：J. P. English、J. H. Clark、R. G. Shepherd、H. W. Marson、J. Krapcho、R. O. Roblin

  DOI：10.1021/ja01210a039

  日期：1946.6