1-(3-溴苯基磺酰)吡咯啉 | 214210-14-7

• 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: 1-(3-溴苯基磺酰)吡咯啉
• 中文别名: 1-(3-溴苯基磺酰基)吡咯烷
• 英文名称: 1-((3-bromophenyl)sulfonyl)pyrrolidine
• 英文别名: 1-(3-bromophenyl)sulfonylpyrrolidine
• CAS: 214210-14-7
• 化学式: C₁₀H₁₂BrNO₂S
• mdl: MFCD07363829
• 分子量: 290.181
• InChiKey: SAGKQVHXBDTCPH-UHFFFAOYSA-N

物化性质

• 熔点：
  70-73

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2935009090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
1-(3-Bromophenylsulfonyl)pyrrolidine
Product Name:
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P302+P352: IF ON SKIN: Wash with soap and water
P321: Specific treatment (see on this label)
P405: Store locked up

---

Section 3. Composition/information on ingredients.
1-(3-Bromophenylsulfonyl)pyrrolidine
Ingredient name:
CAS number: 214210-14-7

---

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

---

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.

---

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.

---

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.

---

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.

---

Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H12BrNO2S
Molecular weight: 290.2

---

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 bromide, sulfur oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(3-溴苯基磺酰)吡咯啉 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 C₂₆H₃₂N₆O₄S
  参考文献：
  名称：

  [EN] SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA
  [FR] INHIBITEURS DE SOX11 POUR TRAITER UN LYMPHOME À CELLULES DU MANTEAU

  摘要：

  公开的是一些化合物，它们是SOX11的化学抑制剂。所公开的化合物在治疗多种癌症方面是有用的。

  公开号：

  WO2021257544A1
• 作为产物：
  描述：

  四氢吡咯 、 3-溴苯磺酰氯 在 吡啶 作用下， 以78%的产率得到1-(3-溴苯基磺酰)吡咯啉
  参考文献：
  名称：

  选择性 PRMT4 抑制剂的合理设计和合成：开发癌症治疗的新化学型**

  摘要：

  蛋白质精氨酸N-甲基转移酶 4 (PRMT4) 不对称地二甲基化组蛋白 H3 和非组蛋白的精氨酸残基。PRMT4 在几种癌症中的过度表达激发了人们对发现抑制剂作为生物工具和潜在的治疗方法的兴趣。尽管已经报道了几种 PRMT4 抑制剂，但大多数对甲基转移酶 PRMT 家族的其他成员表现出较差的选择性。在此，我们报告了一类新的含丙氨酸 3-芳基吲哚作为有效和选择性 PRMT4 抑制剂的基于结构的设计，并描述了此类化合物的关键构效关系。

  DOI：

  10.1002/cmdc.202100018

文献信息

• Site‐Selective 1,2‐Dicarbofunctionalization of Vinyl Boronates through Dual Catalysis
  作者：Shang‐Zheng Sun、Yaya Duan、Riccardo S. Mega、Rosie J. Somerville、Ruben Martin

  DOI：10.1002/anie.201916279

  日期：2020.3.9

  A modular, site-selective 1,2-dicarbofunctionalization of vinyl boronates with organic halides through dual catalysis is described. This reaction proceeds under mild conditions and is characterized by excellent chemo- and regioselectivity. It thus represents a complementary new technique for preparing densely functionalized alkyl boron architectures from simple and accessible precursors.

  描述了通过双重催化将硼酸乙烯基酯与有机卤化物进行模块化，位置选择性的1,2-二苯官能化。该反应在温和的条件下进行，并具有出色的化学选择性和区域选择性。因此，它代表了一种补充性新技术，该技术可用于从简单易接近的前体制备致密官能化的烷基硼结构。
• PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Boss Christoph

  公开号：US20130150424A1

  公开（公告）日：2013-06-13

  The present invention relates to (S)-proline sulfonamide compounds of formula (I) wherein R 1 and R 2 are as described in the description, or pharmaceutically acceptable salts thereof, for use in the prevention or treatment of diseases or disorders related to the orexin system. The present invention also relates to the use of (S)-proline sulfonamide compounds of formula (II) as pharmaceuticals, to pharmaceutical compositions comprising compounds of formula (II), and especially their use in the prevention or treatment of diseases or disorders related to the orexin system.

  本发明涉及公式（I）中的（S）-脯氨酸磺酰胺化合物，其中R1和R2如说明书中所述，或其药学上可接受的盐，用于预防或治疗与促进素系统相关的疾病或障碍。本发明还涉及使用公式（II）中的（S）-脯氨酸磺酰胺化合物作为药物，制备含有公式（II）化合物的药物组合物，特别是它们在预防或治疗与促进素系统相关的疾病或障碍方面的使用。
• Bi-aryl meta-pyrimidine inhibitors of kinases
  申请人：Noronha Glenn

  公开号：US20070259904A1

  公开（公告）日：2007-11-08

  The invention provides biaryl meta-pyrimidine compounds having the general structure (A). The pyrimidine compounds of the invention are capable of inhibiting kinases, such as members of the Jak kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供了具有一般结构（A）的联苯基间吡嘧啶化合物。本发明的吡嘧啶化合物能够抑制激酶，如Jak激酶家族成员以及其他特定的受体和非受体激酶。
• Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases
  申请人：Noronha Glenn

  公开号：US20090275582A1

  公开（公告）日：2009-11-05

  The invention provides biaryl meta-pyrimidine compounds having the general structure (A). The pyrimidine compounds of the invention are capable of inhibiting kinases, such as members of the Jak kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供具有一般结构（A）的双芳基间位嘧啶化合物。本发明的嘧啶化合物能够抑制激酶，如Jak激酶家族的成员，以及各种其他特定的受体和非受体激酶。
• Conformational Flexibility as a Tool for Enabling Site-Selective Functionalization of Unactivated <i>sp</i>^<i>3</i> C–O Bonds in Cyclic Acetals
  作者：Ciro Romano、Laura Talavera、Enrique Gómez-Bengoa、Ruben Martin

  DOI：10.1021/jacs.2c04513

  日期：2022.7.6

  A dual catalytic manifold that enables site-selective functionalization of unactivated sp3 C–O bonds in cyclic acetals with aryl and alkyl halides is reported. The reaction is triggered by an appropriate σ*–p orbital overlap prior to sp3 C–O cleavage, thus highlighting the importance of conformational flexibility in both reactivity and site selectivity. The protocol is characterized by its excellent

  报道了一种双催化歧管，它能够用芳基和烷基卤化物对环状缩醛中未活化的sp 3 C-O 键进行位点选择性功能化。该反应是由在sp 3 C-O 裂解之前适当的 σ*-p 轨道重叠触发的，因此突出了构象灵活性在反应性和位点选择性中的重要性。该协议的特点是其出色的化学选择性特征，从而为激活强σ sp 3 C-O 键提供了新的前景。