N,N-二甲基苄基磺酰胺 | 4726-01-6

• 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-二甲基苄基磺酰胺
• 英文名称: N,N-dimethyl-N-(phenylmethyl)sulfamide
• 英文别名: 1-Benzyl-3,3-dimethylsulfonyldiamid；N-benzyldimethylamino sulfonamide；N-Benzyl-N',N'-dimethylsulfamid；N²,N²-Dimethyl-N¹-benzylsulfamid；N,N-Dimethylbenzylsulfamide；(dimethylsulfamoylamino)methylbenzene
• CAS: 4726-01-6
• 化学式: C₉H₁₄N₂O₂S
• mdl: MFCD02188294
• 分子量: 214.288
• InChiKey: TWNAAXGVDGRWOZ-UHFFFAOYSA-N

物化性质

• 熔点：
  70-72 °C
• 沸点：
  335.5±35.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (Benzylsulfamoyl)dimethylamine
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: (Benzylsulfamoyl)dimethylamine
CAS number: 4726-01-6

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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: C9H14N2O2S
Molecular weight: 214.3

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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-二甲基苄基磺酰胺 在 sodium methylate 、 2,4-二硝基苯基羟胺 作用下， 生成 N,N-Dimethyl-1-(phenylmethyl)-hydrazinsulfonamid
  参考文献：
  名称：

  �ber den Zusammenhang zwischen Struktur und Stabilit�t von Hydrazinsulfonamiden

  摘要：

  DOI：

  10.1007/bf00809195
• 作为产物：
  描述：

  二甲基氨磺酰亚氨基甲基苯 在 Schwartz's reagent 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 以99%的产率得到N,N-二甲基苄基磺酰胺
  参考文献：
  名称：

  使用氯化锆氧化锆还原亚胺

  摘要：

  氯化锆氧化锆（Schwartz试剂）可以还原芳香族和脂肪族亚胺以及酮亚胺。反应快速（在20分钟内完成）且具有化学选择性。它可以耐受各种官能团，并能以高收率提供相应的N保护的胺。

  DOI：

  10.1002/ejoc.201901607

文献信息

• Alkylierungen an Trialkylsulfonyldiamiden
  作者：Bernard Unterhalt、Edmar Seebach

  DOI：10.1002/ardp.19823151007

  日期：——

  und sek. Aminen. Während die Umsetzung mit 2‐Chlorethylbenzylether mißglückte, waren die Alkylthioethylamide 12 und 13 und die Dialkylaminoethyl‐Verbindungen 15–19 darzustellen. Mit anderen Trialkylsulfonyldiamiden wurden 2 und 8, mit Trimethylsulfonyldiamid sowie mit 1‐Ethyl‐3,3‐dimethylsulfonyldiamid und 3‐Chlorpropyldiethylamin 20 und 21 gewonnen.

  三甲基磺酰二酰胺与氯甲基乙基醚和一些氯甲基烷基硫醚在相转移催化条件下反应，分别得到1和3-5。用甲醛和秒实现氨基甲基化至 7 和 9-11。胺类。虽然与 2-氯乙基苄基醚的反应失败，但必须制备烷硫基乙基酰胺 12 和 13 以及二烷基氨基乙基化合物 15-19。使用其他三烷基磺酰二酰胺 2 和 8，使用三甲基磺酰二酰胺，使用 1-乙基-3,3- 二甲基磺酰二酰胺和 3-氯丙基二乙胺，得到 20 和 21。
• Trialkyl- und Tetraalkylsulfonyldiamide
  作者：Bernard Unterhalt、Edmar Seebach

  DOI：10.1002/ardp.19813140110

  日期：——

  Die N,N‐Dimethyl‐N'‐alkylsulfonyldiamide 1–9 wurden synthetisiert und teilweise zu den N,N‐Dimethyl‐N'‐alkyl‐N'‐benzylsulfonyldiamiden 11–16 und 19–24 umgesetzt. Trimethyl‐4‐nitrobenzylsulfonyldiamid (25) ist nicht auf die gleiche Weise darzustellen, sondern nur unter besonderen Bedingungen, die diskutiert werden.

  N, N-二甲基-N'-烷基磺酰二酰胺 1-9 被合成并部分转化为 N, N-二甲基-N'-烷基-N'-苄基磺酰二酰胺 11-16 和 19-24。三甲基 - 4 - 硝基苄基磺酰二酰胺 (25) 不能以相同的方式制备，只能在讨论的特殊条件下制备。
• Metal-free synthesis of activated ynesulfonamides and tertiary enesulfonamides
  作者：Lucile Andna、Laurence Miesch

  DOI：10.1039/c9ob00947g

  日期：——

  An operationally simple synthesis of activated ynesulfonamides and enesulfonamides is described. Ynesulfonamides can be obtained through reaction of sulfonylamides with activated bromoalkynes and Triton B in a short time at room temperature. Likewise, terminal alkynes react with sulfonylamides to provide enesulfonamides. Z/E enesulfonamides can be transformed exclusively into E enesulfonamides.

  描述了活化的炔磺酰胺和烯磺酰胺的操作简单的合成。可以通过在室温下短时间内使磺酰胺类化合物与活化的溴炔烃和Triton B反应来获得丙磺酰胺。同样，末端炔烃与磺酰胺反应以提供烯磺酰胺。Z / E磺酰胺可以仅转化为E磺酰胺。
• [EN] INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS INDAZOLE COMME ANTAGONISTES DES RÉCEPTEURS CCR1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009134666A1

  公开（公告）日：2009-11-05

  Disclosed indazoles compounds that are useful as antagonists of CCR1 activity and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  揭示了吲唑烯化合物，其作为CCR1活性拮抗剂是有用的，因此可用于治疗通过CCR1活性介导或维持的多种疾病和疾病，包括自身免疫疾病，如类风湿性关节炎和多发性硬化症。还披露了包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Direct Synthesis of CF₂H-Substituted 2-Amidofurans via Copper-Catalyzed Addition of Difluorinated Diazoacetone to Ynamides
  作者：Yongxiang Zheng、Anna Perfetto、Davide Luise、Ilaria Ciofini、Laurence Miesch

  DOI：10.1021/acs.orglett.1c01876

  日期：2021.7.16

  science. Methods for the incorporation of lightly fluorinated groups such as CF2H have been less well developed. Here we report the use of difluorinated diazoacetone as a practical reagent for the direct synthesis of CF2H-substituted 2-amidofurans through addition to ynamides. These newly designed difluorinated amidofurans were elaborated to create new nitrogen-containing frameworks that would be challenging

  含有二氟甲基的分子的重要性是由它们在制药和农业化学科学中的潜在应用驱动的。掺入轻度氟化基团（例如CF 2 H）的方法还没有得到很好的发展。在这里，我们报告了使用二氟化重氮丙酮作为一种实用试剂，通过添加到ynamides直接合成CF 2 H 取代的2-酰氨基呋喃。这些新设计的二氟酰氨基呋喃经过精心设计，以创造新的含氮框架，否则很难获得。