2-碘苯-1-磺酰胺 | 53730-99-7

• 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: 2-碘苯-1-磺酰胺
• 英文名称: 2-iodobenzene-sulfonamide
• 英文别名: 2-Iodobenzene-1-sulfonamide；2-iodobenzenesulfonamide
• CAS: 53730-99-7
• 化学式: C₆H₆INO₂S
• mdl: MFCD00099104
• 分子量: 283.09
• InChiKey: JKHHRSIUFVAEOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2935009090

SDS

Name:	2-Iodobenzene-1-sulfonamide 95+% Material Safety Data Sheet
Synonym:
CAS:	53730-99-7

Section 1 - Chemical Product MSDS Name:2-Iodobenzene-1-sulfonamide 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
53730-99-7	2-Iodobenzene-1-sulfonamide	95+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 53730-99-7: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170 - 171 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6INO2S
Molecular Weight: 283.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodine, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 53730-99-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Iodobenzene-1-sulfonamide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 53730-99-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53730-99-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53730-99-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-碘苯-1-磺酰胺 在 氨 、 氢化钾 、 2,4-二甲基-3-戊酮 作用下， 反应 0.13h， 以90%的产率得到苯磺酰胺
  参考文献：
  名称：

  在S RN 1条件下通过2-碘代苯磺酰胺与酮烯醇酸酯的异环化反应合成2 H -1,2-苯并噻嗪1,1-二氧化物§

  摘要：

  2-碘苯磺酰胺（1a）在液态NH 3中与衍生自丙酮，频哪酮，丁酮和3-甲基-2-丁酮的烯醇钾进行光刺激的S RN 1反应，以公平地获得良好的2 H -1,2-收率。苯并噻嗪1,1-二氧化物2。发现1a的还原脱卤作用在1a与3-戊酮，2-甲基-3-戊酮和2,4-二甲基-3-戊酮的光诱导反应中占主导地位，还原程度与β-氢原子数量成正比。酮烯醇中存在的原子。2,4-二甲基-3-戊酮-d 14（24的同位素标记研究）证实了β-氢在还原过程中的主要作用。的反应1A与环戊酮，环己酮，并得到新的三环苯并噻嗪衍生物环辛烯醇化物26 - 29。尝试通过1a与乙酸叔丁酯和乙酸乙酯的反应将杂环化反应扩展到制备2 H -1,2-苯并噻嗪-3（4 H）-1 1,1-二氧化物3（R = H，Ph）苯乙酸烯醇盐仅导致1a的加氢脱卤。但是，恶唑啉阴离子30（苯乙酸乙酯的合成当量）已成功用于替代S基于RN 1的苯并噻嗪3的合成（R

  DOI：

  10.1021/jo050964e
• 作为产物：
  描述：

  2-碘苯-1-磺酰氯 在 ammonium hydroxide 作用下， 以82%的产率得到2-碘苯-1-磺酰胺
  参考文献：
  名称：

  使用自由基易位芳基化基团对酰胺中的 α-C(sp3)-H 键进行官能化

  摘要：

  据报道，使用 2-碘芳基磺酰基自由基易位芳基化 (RTA) 基团对 N-烷基酰胺进行 α-C-H 芳基化。该方法允许在酰胺中构建α-季碳中心。各种单取代和二取代的 RTA 基团适用于伯、仲和叔 α-C(sp 3 )-H-键的芳基化。这些自由基转化以良好到优异的产率进行，级联包括 1,6-氢原子转移，随后是 1,4-芳基迁移以及随后的 SO 2挤出。

  DOI：

  10.1002/anie.202013275
• 作为试剂：
  描述：

  2,4-二甲基-3-戊酮 在 2-碘苯-1-磺酰胺 、 氨 、 potassium amide 作用下， 反应 0.13h， 以86%的产率得到2,4,4,6,8-pentamethylnonane-3,7-dione
  参考文献：
  名称：

  在S RN 1条件下通过2-碘代苯磺酰胺与酮烯醇酸酯的异环化反应合成2 H -1,2-苯并噻嗪1,1-二氧化物§

  摘要：

  2-碘苯磺酰胺（1a）在液态NH 3中与衍生自丙酮，频哪酮，丁酮和3-甲基-2-丁酮的烯醇钾进行光刺激的S RN 1反应，以公平地获得良好的2 H -1,2-收率。苯并噻嗪1,1-二氧化物2。发现1a的还原脱卤作用在1a与3-戊酮，2-甲基-3-戊酮和2,4-二甲基-3-戊酮的光诱导反应中占主导地位，还原程度与β-氢原子数量成正比。酮烯醇中存在的原子。2,4-二甲基-3-戊酮-d 14（24的同位素标记研究）证实了β-氢在还原过程中的主要作用。的反应1A与环戊酮，环己酮，并得到新的三环苯并噻嗪衍生物环辛烯醇化物26 - 29。尝试通过1a与乙酸叔丁酯和乙酸乙酯的反应将杂环化反应扩展到制备2 H -1,2-苯并噻嗪-3（4 H）-1 1,1-二氧化物3（R = H，Ph）苯乙酸烯醇盐仅导致1a的加氢脱卤。但是，恶唑啉阴离子30（苯乙酸乙酯的合成当量）已成功用于替代S基于RN 1的苯并噻嗪3的合成（R

  DOI：

  10.1021/jo050964e

文献信息

• [EN] 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 2-CYANOISOINDOLINE POUR LE TRAITEMENT DU CANCER
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2017158388A1

  公开（公告）日：2017-09-21

  The invention relates to novel compounds of formula I which are inhibitors of deubiquitylating enzymes (DUBs) and/or desumoylating enzymes. In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 7 or ubiquitin specific peptidase 7 (USP7). The invention further relates to methods for the preparation of these compounds and to their use in the treatment of cancer.

  这项发明涉及公式I的新化合物，这些化合物是去泛素化酶（DUBs）和/或去泛素化酶的抑制剂。具体来说，该发明涉及抑制泛素C端水解酶7或泛素特异性肽酶7（USP7）。该发明还涉及这些化合物的制备方法以及它们在癌症治疗中的应用。
• Microwave-Assisted Cross-Coupling for the Construction of Diaryl Sulfides
  作者：Chen-Ming Tan、Grace Shiahuy Chen、Chien-Shu Chen、Ji-Wang Chern

  DOI：10.1002/jccs.201190064

  日期：2011.2

  construction of diaryl sulfides through the cross‐coupling of aryl iodides and thiols in microwave heating is described. By using this method, a variety of diaryl sulfides can be prepared in a mild condition and in high yields. Deactivated 4‐nitrothiophenol was effective to afford the product in 94% yield. Sterically hindered ortho‐substituted aryl iodides or thiophenols provided diaryl sulfides effectively

  描述了在微波加热中通过芳基碘化物和硫醇的交叉偶联来构建二芳基硫醚。通过使用这种方法，可以在温和的条件下以高收率制备各种二芳基硫醚。失活的4-硝基硫代苯酚可有效地以94％的收率提供产品。通过微波辅助的偶联反应，受位阻的邻位取代的芳基碘化物或苯硫酚可有效地提供二芳基硫化物。
• Bis-(Sulfonylamino) Derivatives in Therapy 205
  申请人：Bylund Johan

  公开号：US20090163586A1

  公开（公告）日：2009-06-25

  The invention provides compounds of formula (I) wherein R 1 , R 3 , L 1 , L 2 , G 1 , G 2 , A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了式（I）的化合物 其中R 1 ，R 3 ，L 1 ，L 2 ，G 1 ，G 2 ，A和m如规范中定义的那样，以及其光学异构体，消旋体和互变异构体，以及其药学上可接受的盐；以及它们的制备方法，含有它们的药物组合物以及它们在治疗中的应用。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• Cu-mediated one-pot three-component synthesis of 3-N-substituted 1,4,2-benzodithiazine 1,1-dioxide derivatives
  作者：Wei Dong、Zemei Ge、Xin Wang、Ridong Li、Runtao Li

  DOI：10.1016/j.tet.2020.131354

  日期：2020.7

  A novel and efficient copper-catalyzed one-pot procedure for the synthesis of 3-N-substituted 1,4,2-benzodithiazine 1,1-dioxide derivatives from 2-halobenzenesulfonamides, amines and CS2 is described. The reaction proceeds through Ullmann-type S-arylation, intramolecular addition of NH2 with CS and dehydrosulfide, which provides a new and useful strategy for construction of cyclic aromatic sulfonamides

  描述了一种新颖且有效的铜催化一锅法，用于从2-卤代苯磺酰胺，胺和CS 2合成3-N-取代的1,4,2-苯并噻二嗪1,1-二氧化物衍生物。该反应通过乌尔曼型S-芳基化，NH 2与C S和脱氢硫化物的分子内加成进行，这为构建环状芳族磺酰胺提供了新的有用的策略。
• Bicyclic amine derivatives as inhibitors of class 1 receptor tyrosine kinases
  申请人：——

  公开号：US20030153755A1

  公开（公告）日：2003-08-14

  Fused bicyclic amines of formula (1) are described wherein Ar is an aryl or heteroaryl group; Y is a —S(O 2 )— or —C(O)— group; R 1 is a hydrogen or halogen atom or an alkyl, haloalkyl, alkoxy, haloalkoxy or cyano group; X is a nitrogen atom or a C(R 1a ) group where R 1a is as defined for R 1 and may be the same or different; W and Z are each a carbon atom and together with U form an optionally substituted five- or six-membered monocyclic aromatic or heteroaromatic group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the activity of Class I receptor tyrosine kinases and are of use in the prophylaxis and treatment of hyperproliferative disorders such as cancer, psoriasis, restenosis, atherosclerosis and fibrosis.

  公式（1）中描述了Ar为芳基或杂芳基基团；Y为—S(O2)—或—C(O)—基团；R1为氢原子或卤素原子或烷基、卤代烷基、烷氧基、卤代烷氧基或氰基；X为氮原子或C(R1a)基团，其中R1a如R1所定义，可以相同也可以不同；W和Z各自为碳原子，并与U一起形成一个可选择取代的五元或六元单环芳香或杂芳基团；以及它们的盐、溶剂合物、水合物和N-氧化物。这些化合物能够抑制I类受体酪氨酸激酶的活性，并可用于预防和治疗癌症、银屑病、再狭窄、动脉粥样硬化和纤维化等过度增殖性疾病。