2,6-二氟苯磺酰胺 | 60230-37-7

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 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: 2,6-二氟苯磺酰胺
• 英文名称: 2,6-difluorobenzenesulfonamide
• CAS: 60230-37-7
• 化学式: C₆H₅F₂NO₂S
• mdl: MFCD00729101
• 分子量: 193.174
• InChiKey: RVVVGGCOFWWDEL-UHFFFAOYSA-N

物化性质

• 熔点：
  187-191 °C (lit.)
• 沸点：
  309.2±52.0 °C(Predicted)
• 密度：
  1.523±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避免接触氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 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：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2935009090
• 危险品运输编号：
  NONH for all modes of transport
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H314
• 储存条件：
  在密封的贮藏器中，应将其存放在阴凉、干燥处并保持良好通风。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2,6-Difluorobenzenesulfonamide
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 60230-37-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C6H5F2NO2S
Molecular Weight : 193,17 g/mol
CAS-No. : 60230-37-7
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides, Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
Colour: beige
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 187 - 191 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2,6-二氟苯磺酰胺 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 3,5-二硝基苯甲酸钾盐 、 三乙胺 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 反应 40.0h， 生成 1,3-二氟苯
  参考文献：
  名称：

  N-磺酰甲酰胺作为氧化导向基团用于钌催化的 CH 活化/环化

  摘要：

  N-磺酰基甲酰胺既可以作为 C-H 活化的导向基团，也可以作为 Ru 催化的炔烃环化反应中的内部氧化剂，以产生异喹诺酮。在研究的所有 N-磺酰甲酰胺中，发现 N-(2,6-二氟苯基)磺酰胺衍生物最有效，并导致形成不稳定的亚磺酸盐副产物，在反应条件。所描述的异喹诺酮合成为目前已知的异羟肟酸和亚砜亚胺衍生物的无痕环化提供了替代方案。

  DOI：

  10.1002/ejoc.201601582
• 作为产物：
  描述：

  2,6-二氟苯磺酰氯 在 氨 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到2,6-二氟苯磺酰胺
  参考文献：
  名称：

  [EN] 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE
  [FR] COMPOSÉS DE 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDÈNE)ACÉTAMIDE ET LEUR UTILISATION THÉRAPEUTIQUE

  摘要：

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些2-氨基-N-(氨基氧代芳基-λ6-砜基)乙酰胺化合物（以下简称为ANASIA化合物），该化合物在一些情况下抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶（aaRS）（例如，细菌亮氨酰-tRNA合成酶，LeuRS）。本发明还涉及包含这种化合物的药物组合物，以及在体内外使用这种化合物和组合物来抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶；治疗通过抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶而得到改善的疾病；治疗细菌感染等。

  公开号：

  WO2021123237A1

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：
• [EN] THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE THIAZOLE SULFONAMIDE ET OXAZOLE SULFONAMIDE KINASES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010104899A1

  公开（公告）日：2010-09-16

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents

  本发明提供了噻唑磺酰胺和恶唑磺酰胺化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的使用方法。
• METHOD FOR REMOVING DIMETHOXYBENZYL GROUP
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20180251448A1

  公开（公告）日：2018-09-06

  In a method for producing a de-dimethoxybenzylated compound by removing a dimethoxybenzyl group from a compound containing a dimethoxybenzyl group bonded to a nitrogen atom in the presence of an acid, the de-dimethoxybenzylated compound is obtained by removing the dimethoxybenzyl group without forming a poorly soluble product resulting from the removed dimethoxybenzyl group. The de-dimethoxybenzylation reaction is carried out in the presence of triphenylphosphine or diethylthiourea.

  通过在酸的存在下从含有与氮原子结合的二甲氧基苄基团的化合物中去除二甲氧基苄基团的方法，得到去二甲氧基苄基化合物，该去二甲氧基苄基化合物是通过去除二甲氧基苄基团而不形成由去除的二甲氧基苄基团产生的难溶性产物得到的。在三苯基膦或二乙基硫脲的存在下进行去二甲氧基苄基化反应。
• Copper-catalyzed oxidative methylation of sulfonamides by dicumyl peroxide
  作者：Shiying Che、Qiao Zhu、Zhenghong Luo、Yan Lian、Zijian Zhao

  DOI：10.1080/00397911.2020.1859118

  日期：——

  (2021). Copper-catalyzed oxidative methylation of sulfonamides by dicumyl peroxide. Synthetic Communications: Vol. 51, No. 6, pp. 935-942.

  （2021年）。过氧化二枯基铜催化磺酰胺的铜催化氧化甲基化。综合通信：第一卷。51，第6号，第935-942页。
• Decarboxylative sp3 C–N coupling via dual copper and photoredox catalysis
  作者：Yufan Liang、Xiaheng Zhang、David W. C. MacMillan

  DOI：10.1038/s41586-018-0234-8

  日期：2018.7

  to construct sp2 carbon–nitrogen (C–N) bonds using palladium, copper or nickel catalysis1,2. However, the incorporation of alkyl substrates to form sp3 C–N bonds remains one of the major challenges in the field of cross-coupling chemistry. Here we demonstrate that the synergistic combination of copper catalysis and photoredox catalysis can provide a general platform from which to address this challenge

  在过去的三十年中，利用钯、铜或镍催化构建 sp2 碳氮 (C-N) 键的方法的开发取得了相当大的进展1,2。然而，结合烷基底物形成sp3 C-N键仍然是交叉偶联化学领域的主要挑战之一。在这里，我们证明铜催化和光氧化还原催化的协同组合可以提供一个通用平台来应对这一挑战。该交叉偶联系统使用天然丰富的烷基羧酸和市售的氮亲核试剂作为偶联伙伴。它适用于各种伯、仲和叔烷基羧酸（通过碘鎓活化），以及大量氮亲核试剂：氮杂环、酰胺、磺酰胺和苯胺可以进行 C-N 偶联，提供 N-在室温下和短时间内（五分钟到一小时），烷基产品的效率从良好到优异。我们证明，这种 C-N 偶联方案使用含有多个胺基的底物进行高区域选择性，并且还可以应用于复杂的药物分子，从而能够快速构建分子复杂性和生物活性药物的后期功能化。铜催化和光氧化还原催化的结合在快速、室温偶联方案中形成 sp3 C-N 键，具有高效率和区域选择性以及广泛的底物范围。