4-(吡咯烷-1-磺酰基)-苯胺 | 88327-91-7

• 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-(吡咯烷-1-磺酰基)-苯胺
• 英文名称: 4-(pyrrolidin-1-ylsulfonyl)aniline
• 英文别名: 4-(1-pyrrolidinylsulfonyl)aniline；4-(tetrahydro-1H-pyrrol-1-ylsulfonyl)aniline；4-pyrrolidin-1-ylsulfonylaniline
• CAS: 88327-91-7
• 化学式: C₁₀H₁₄N₂O₂S
• mdl: MFCD00277212
• 分子量: 226.299
• InChiKey: JTIWXDLCUZTDFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  71.8
• 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
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2935009090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P322,P330,P332+P313,P337+P313,P340,P362,P363,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Pyrrolidine-1-sulfonyl)-phenylamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(Pyrrolidine-1-sulfonyl)-phenylamine
CAS number: 88327-91-7

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H14N2O2S
Molecular weight: 226.3

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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：

  4-(吡咯烷-1-磺酰基)-苯胺 在 四氯化碳 、 methyllithium lithium bromide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 、 1,2-二氯乙烷 为溶剂， 反应 1.25h， 生成 N,N'-[(2Z,4Z)-1,1,1,5,5,5-hexafluoro-2-penten-2-yl-4-ylidene]bis[4-(pyrrolidinylsulfonyl)aniline]
  参考文献：
  名称：

  亚胺代孕酯在锂类胡萝卜素介导的同源物中的卤素赋予反应性：双三氟甲基β-二酮的直接组装和LiCH2I的双重作用

  摘要：

  报道了桥接两个三氟乙酰氨基酰氯（TFAICs）单元的碳单元的选择性形式插入（同源）。该策略基于高度化学选择性的同源性-金属化-酰基亲核取代序列，该序列可精确地在一次合成操作中组装出新颖的三氟甲基化β-二酮。与以前使用LiCH 2 Cl制备氮丙啶的同系物不同，本文我们利用碘甲基锂独特的能力同时充当C1源（增效作用）和金属化剂。基于实验证据的机械原理支持了该假设的提议，并且结构分析收集了催化中这类有价值的配体的关键方面。

  DOI：

  10.1002/anie.202007954
• 作为产物：
  描述：

  1-(N-acetyl-sulfanilyl)-pyrrolidine 在 盐酸 、 氨 作用下， 以 水 为溶剂， 反应 1.0h， 生成 4-(吡咯烷-1-磺酰基)-苯胺
  参考文献：
  名称：

  Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists

  摘要：

  揭示了具有结构式I的化合物，其中A是烷基，或者可选择地取代的芳基，环烷基或杂芳基二基；X是—C(O)—或—S(O)2—；R1是烷基或环烷基；R2是氢，卤素或—CN；R3是氢或烷基；R4是氢，烷基，烷氧基，羟基烷基，氨基烷基，环烷基，杂环烷基，被烷基取代的杂环烷基，可选择地取代的芳基烷基或可选择地取代的杂芳基烷基；或者R3和R4形成一个可选择地取代的5-7成员环，所述环可选择地包含一个额外的杂原子环成员；R7是烷基，可选择地取代的苯基，可选择地取代的杂芳基，环烷基，卤素，吗啉基，可选择地取代的哌嗪基，或可选择地取代的氮杂环烷基。还揭示了这些化合物在帕金森病治疗中的用途，单独或与其他治疗帕金森病的药剂组合使用，包含它们的药物组合物和包含组合物组分的工具包。

  公开号：

  US20060135526A1

文献信息

• Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists
  申请人：Clasby C. Martin

  公开号：US20060135526A1

  公开（公告）日：2006-06-22

  Compounds having the structural formula I are disclosed, wherein A is alkylene, or optionally substituted arylene, cycloalkylene or heteroaryldiyl; X is —C(O)— or —S(O) 2 —; R 1 is alkyl or cycloalkyl; R 2 is hydrogen, halo or —CN; R 3 is hydrogen or alkyl; R 4 is hydrogen, alkyl, alkoxy, hydroxyalkyl, aminoalkyl-, cycloalkyl, heterocycloalkyl, heterocycloalkyl substituted by alkyl, optionally substituted arylalkyl or optionally substituted heteroarylalkyl; or R 3 and R 4 , form an optionally substituted 5-7 membered ring, said ring optionally comprising an additional heteroatom ring member; R 7 is alkyl, optionally substituted phenyl, optionally substituted heteroaryl, cycloalkyl, halo, morpholinyl, optionally substituted piperazinyl, or optionally substituted azacycloalkyl. Also disclosed is the use of the compounds in the treatment of Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, pharmaceutical compositions comprising them and kits comprising the components of the combinations.

  揭示了具有结构式I的化合物，其中A是烷基，或者可选择地取代的芳基，环烷基或杂芳基二基；X是—C(O)—或—S(O)2—；R1是烷基或环烷基；R2是氢，卤素或—CN；R3是氢或烷基；R4是氢，烷基，烷氧基，羟基烷基，氨基烷基，环烷基，杂环烷基，被烷基取代的杂环烷基，可选择地取代的芳基烷基或可选择地取代的杂芳基烷基；或者R3和R4形成一个可选择地取代的5-7成员环，所述环可选择地包含一个额外的杂原子环成员；R7是烷基，可选择地取代的苯基，可选择地取代的杂芳基，环烷基，卤素，吗啉基，可选择地取代的哌嗪基，或可选择地取代的氮杂环烷基。还揭示了这些化合物在帕金森病治疗中的用途，单独或与其他治疗帕金森病的药剂组合使用，包含它们的药物组合物和包含组合物组分的工具包。
• Pyrazole compounds
  申请人：——

  公开号：US20030060453A1

  公开（公告）日：2003-03-27

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  提供药物组合物和化合物。发明的化合物显示出抗增殖活性，并且可能促进缺乏正常细胞周期和死亡调控的细胞的凋亡。发明的一个实施例提供了化合物与生理可接受载体组合的药物组合物。该药物组合物可用于治疗过度增殖障碍，包括肿瘤生长、淋巴增殖性疾病、血管生成。发明的化合物是取代吡唑和吡唑啉。
• Fused heterocyclic compounds useful as kinase modulators
  申请人：Vaccaro Wayne

  公开号：US20070078136A1

  公开（公告）日：2007-04-05

  Compounds having the formula (1), and enantiomers, and diastereomers, pharmaceutically-acceptable salts, thereof, are usefuil as kinase modulators, including MK2 modulation, wherein one of E and F is a nitrogen atom and the other of E and F is a carbon atom, Z is N or CR 3 , and R 1 , R 2 , R 3 , X and Y are as defined herein.

  具有化学式（1）的化合物，以及其对映体、非对映体、药用可接受的盐，可用作激酶调节剂，包括MK2调节，其中E和F中的一个是氮原子，另一个是碳原子，Z是N或CR3，R1、R2、R3、X和Y如本文所定义。
• An efficient and green synthesis of polyfunctionalized spirothiazolidin-4-ones using sulfonated mesoporous silica as a reusable catalyst
  作者：Essam M. Hussein、Saleh A. Ahmed

  DOI：10.1007/s10593-017-2185-7

  日期：2017.10

  A simple and highly efficient protocol was developed for one-pot synthesis of polyfunctionalized spirothiazolidin-4-ones using sulfonated mesoporous silica (MCM-SO3H) as a heterogenous and reusable acidic catalyst. In comparison to the reported synthetic methods for the synthesis of thiazolidin-4-one and spirothiazolidin-4-one derivatives, this strategy provides superior yields under mild conditions

  开发了一种简单高效的方案，用于使用磺化介孔二氧化硅（MCM-SO 3 H）作为多相且可重复使用的酸性催化剂，一锅合成多官能化的螺噻唑烷-4-酮。与报道的合成噻唑烷酮-4-酮和螺噻唑烷酮-4-酮衍生物的合成方法相比，该策略在温和条件下提供了优异的收率，同时避免了有害溶剂的使用。
• QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS
  申请人：Bembenek Scott D.

  公开号：US20100204226A1

  公开（公告）日：2010-08-12

  Quinazolinone compounds of formula (I) are described, which are useful as prolyl hydroxylase inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by prolyl hydroxylase activity. Thus, the compounds may be administered to treat, e.g., anemia, vascular disorders, metabolic disorders, and wound healing.

  公式（I）的喹唑啉酮化合物被描述为脯氨酸羟化酶抑制剂，这些化合物可用于制药组合物和治疗由脯氨酸羟化酶活性介导的疾病状态、紊乱和情况的方法。因此，这些化合物可用于治疗贫血、血管紊乱、代谢紊乱和伤口愈合等疾病。