2,5-二甲氧基苯磺胺 | 19116-90-6

• 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: 2,5-二甲氧基苯磺胺
• 中文别名: 2,5-二甲氧基苯磺酰胺；2,5-二甲氧基苯-1-磺胺
• 英文名称: 2,5-dimethoxy-benzenesulfonic acid amide
• 英文别名: 2,5-Dimethoxy-benzolsulfonsaeure-amid；2,5-dimethoxyphenylsulfonamide；2,5-dimethoxy-benzenesulfonamide；2,5-Dimethoxybenzenesulfonamide
• CAS: 19116-90-6
• 化学式: C₈H₁₁NO₄S
• mdl: MFCD00833415
• 分子量: 217.246
• InChiKey: MMHMYFWOECSGDR-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C
• 稳定性/保质期：
  在常温常压下稳定，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• RTECS号：
  DB2030000
• 海关编码：
  2935009090
• 储存条件：
  常温下应密闭避光保存，并置于通风干燥处。

SDS

Name:	2 5-Dimethoxybenzene-1-sulfonamide 97% Material Safety Data Sheet
Synonym:
CAS:	19116-90-6

Section 1 - Chemical Product MSDS Name:2 5-Dimethoxybenzene-1-sulfonamide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19116-90-6	2,5-Dimethoxybenzene-1-sulfonamide	97%	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# 19116-90-6: 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: 150 - 152 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H11NO4S
Molecular Weight: 217

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, acid chlorides, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19116-90-6: DB2030000 LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dimethoxybenzene-1-sulfonamide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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# 19116-90-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19116-90-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19116-90-6 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：

  2,5-二甲氧基苯磺胺 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 silver(I) acetate 、 zinc(II) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 生成 dimethyl 2-(2-(N-acetylsulfamoyl)-3,6-dimethoxyphenyl)malonate
  参考文献：
  名称：

  铑（iii）催化的磺酰胺通过金属卡宾迁移插入而指导邻位C–H类胡萝卜素官能化†

  摘要：

  铑（III）催化的磺酰胺定向的邻位C-H类胡萝卜素官能化已经得到了良好的收率。该方法由于其广泛的底物范围而具有吸引力，并且能够衍生出多种生物活性的磺酰胺结构和磺胺药物的后期修饰。

  DOI：

  10.1039/c8cc08837c
• 作为产物：
  描述：

  对苯二甲醚 在 氯磺酸 、 ammonium hydroxide 作用下， 反应 3.0h， 生成 2,5-二甲氧基苯磺胺
  参考文献：
  名称：

  磺酰肼和相关化合物。第十一部分。一些取代的芳基醚磺酰肼

  摘要：

  为了寻找新的害虫防治剂，制备了以下苯磺酰肼：5-氯-2-甲氧基-，3-氯-4-甲氧基-，2-氯-4-甲氧基，3-溴-4-甲氧基- ，5-溴-2-甲氧基-，2-溴-4-甲氧基-，4-甲氧基-3-硝基-，3,4-二甲氧基-，2,5-二甲氧基-，2,4-二甲氧基-，3乙酰氨基-4-甲氧基，和5-乙酰氨基-2-甲氧基- ，另外，4- ñ -sulhonylhydrazinophenylacetic酸，和4- ñ -磺酰基肼基-2-甲氧基苯氧基乙酸已经制备。酰肼已被转化为许多衍生物（例如，酰肼，叠氮化物）。

  DOI：

  10.1039/j39690001341

文献信息

• Sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060079520A1

  公开（公告）日：2006-04-13

  Acyl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  酰基磺酰胺，带有周取代的融合双环环化合物，用于治疗或预防前列腺素介导的疾病或症状。这些化合物的一般公式为 代表性示例是：
• 3,4-Disubstituted indole acylsulfonamides: A novel series of potent and selective human EP3 receptor antagonists
  作者：Nian Zhou、Wayne Zeller、Michael Krohn、Herb Anderson、Jun Zhang、Emmanuel Onua、Alex S. Kiselyov、Jose Ramirez、Guðrún Halldorsdottir、Þorkell Andrésson、Mark E. Gurney、Jasbir Singh

  DOI：10.1016/j.bmcl.2008.11.007

  日期：2009.1

  A series of potent and selective EP3 receptor antagonists are described. Utilizing a pharmacophore model developed for the EP3 receptor, a series of 3,4-disubstituted indoles were shown to be high affinity ligands for this target. These compounds showed high selectivity over IP, FP and other EP receptors and are potent antagonists in functional assays.

  描述了一系列有效的和选择性的EP 3受体拮抗剂。利用针对EP 3受体开发的药效团模型，显示了一系列3,4-二取代的吲哚是对该靶标的高亲和力配体。这些化合物对IP，FP和其他EP受体显示出高选择性，并且在功能测定中是有效的拮抗剂。
• N-(acridin-9-yl)arenesulfonamides: Synthesis, quantum chemical studies and crystal structure analysis to establish the tautomeric preferences
  作者：Sumit S. Chourasiya、Aabid A. Wani、C.M. Nagaraja、Asit K. Chakraborti、Prasad V. Bharatam

  DOI：10.1016/j.tet.2018.05.024

  日期：2018.7

  The potentiality of the N-(acridin-9-yl)arenesulfonamide moiety as a hybrid pharmacophore due to the distinct pharmacological activities of acridines and aryl/heteroaryl sulfonamides prompts to synthesise N-(acridin-9-yl)arenesulfonamides and study their structural properties. Various N-(acridin-9-yl)arene/heteroarenesulfonamides were obtained through the development of a new methodology adopting the

  由于a啶和芳基/杂芳基磺酰胺的独特药理活性，N-（acridin-9-yl）芳烃磺酰胺部分作为杂种药效基团的潜力促使人们合成N-（acridin-9-yl）芳烃磺酰胺并研究其结构性质。通过开发一种新方法，采用Pd 2（dba）3催化的C N键形成策略，使9-氯lor啶与芳烃/杂芳烃磺酰胺反应，获得了各种N-（ac啶-9-9-基）芳烃/杂芳烃磺酰胺。1H和1313 C NMR光谱表明这些N-（ac啶-9-9基）亚芳基/杂芳烃磺酰胺仅以磺酰亚胺互变异构体的形式存在，而不是预期的磺酰胺形式存在，并且通过对新合成的化合物之一的单晶XRD分析得到证实。量子化学研究合理化了这种互变异构偏好，表明在气相中，磺酰亚胺互变异构体比磺酰胺互变异构体稳定-0.67至-5.12 kcal / mol。在固态下，磺酰亚胺互变异构体通过N H⋯O S之间的分子间氢键和a啶环之间的π-π堆积而稳定。
• A novel series of selective leukotriene antagonists: exploration and optimization of the acidic region in 1,6-disubstituted indoles and indazoles
  作者：Ying K. Yee、Peter R. Bernstein、Edward J. Adams、Frederick J. Brown、Laura A. Cronk、Kevin C. Hebbel、Edward P. Vacek、Robert D. Krell、David W. Snyder

  DOI：10.1021/jm00171a018

  日期：1990.9

  A systematic structure-activity exploration of the carboxylic acid region in a series of indole- or indazole-derived leukotriene antagonists 1 led to several discoveries. Use of the 3-methoxy-p-tolyl fragment (illustrated in acid 1) for connecting the indole and the acidic site provides the most potent carboxylic acids 1, tetrazoles 20, and aryl sulfonimides 21. The aryl sulfonimides are 5-500 times

  对一系列由吲哚或吲唑衍生的白三烯拮抗剂1的羧酸区域进行系统的结构活性探索导致了一些发现。使用3-甲氧基对甲苯基片段（如酸1中所示）连接吲哚和酸性位点可提供最有效的羧酸1，四唑20和芳基磺酰亚胺21。芳基磺酰亚胺的含量是5-500倍以上（在体外和/或体内）比相应的羧酸更有效。在给定的体外活性水平下，邻甲苯基磺酰亚胺（如114）显示出比苯基磺酰亚胺更大的口服效力。酸性酮砜衍生物10（Nu = CH-（CO2CH3）SO2Ph）模拟了磺酰亚胺的活性。
• Herbicidal aryl triazolinones
  申请人：FMC Corporation

  公开号：US04743291A1

  公开（公告）日：1988-05-10

  Herbicidal aryl triazolinones include the compounds of the formula ##STR1## where X is preferably halogen such as fluorine, Y is preferably halogen such as chlorine, R.sup.1 is preferably methyl, R.sup.2 is preferably CHF.sub.2, R.sup.3 is preferably CH(CH.sub.3), and ##STR2## is --NH.sub.2 or the residue of a primary or secondary amine or of a sulfonamide.

  除草剂芳基三唑酮包括以下化合物：其中X最好是卤素，如氟，Y最好是卤素，如氯，R.sup.1最好是甲基，R.sup.2最好是CHF.sub.2，R.sup.3最好是CH(CH.sub.3)，以及##STR2##是--NH.sub.2或者是一级或二级胺或磺胺基团的残基。