(甲基磺酰)甲烷磺酰氯 | 22317-89-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酰卤化物
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 中文名称: (甲基磺酰)甲烷磺酰氯
• 中文别名: 甲基甲烷二磺酰氯；(甲基磺酰基)甲烷磺酰氯；甲基甲烷磺酰氯
• 英文名称: (methylsulphonyl)-methanesulphonyl chloride
• 英文别名: (methanesulfonyl)-methanesulfonyl chloride；(methanesulfonyl)methanesulfonyl chloride；(methylsulfonyl)methanesulfonyl chloride；methylsulfonylmethylsulfonyl chloride；methanesulfonyl-methanesulfonyl chloride；methylsulfonylmethanesulfonyl chloride
• CAS: 22317-89-1
• 化学式: C₂H₅ClO₄S₂
• mdl: MFCD00052809
• 分子量: 192.644
• InChiKey: DQDYGBSUPOHHMW-UHFFFAOYSA-N

物化性质

• 熔点：
  109 °C
• 沸点：
  380℃
• 密度：
  1.675
• 闪点：
  184℃
• 稳定性/保质期：
  如果遵照规格使用和储存则不会分解。避免接触水分、潮湿、氧化物以及碱性物质。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  85
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 危险品运输编号：
  UN 3261
• 海关编码：
  2904909090
• 包装等级：
  II
• 储存条件：
  在干性保护气体下处理，保持贮藏器密封，并将其存放在阴凉、干燥处。

SDS

Name:	Methylmethanedisulfonyl chloride 90+% Material Safety Data Sheet
Synonym:
CAS:	22317-89-1

Section 1 - Chemical Product MSDS Name:Methylmethanedisulfonyl chloride 90+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22317-89-1	Methylmethanedisulfonyl chloride	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22317-89-1: 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: 110 deg C
Freezing/Melting Point: Not available.
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: C2H5ClO4S2
Molecular Weight: 192.64

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22317-89-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methylmethanedisulfonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 22317-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22317-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22317-89-1 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

制备方法与用途

合成制备方法

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用途

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反应信息

• 作为反应物：
  描述：

  (甲基磺酰)甲烷磺酰氯 以 甲醇 、 乙酸乙酯 为溶剂， 生成 Methylsulfonylmethylsulfonsaeuremethylester
  参考文献：
  名称：

  (Alkylsulfonyl)methanesulfonates as anticancer agents

  摘要：

  该公式化合物：##STR1## 中，R为甲基或其他较低烷基基团；X和X'分别为氢或较低烷基；R'为2-卤乙基基团或其他卤代较低烷基基团，在治疗肿瘤性疾病中是有用的。

  公开号：

  US04611074A1
• 作为产物：
  描述：

  sodium (methylsulfonyl)methanesulfonate 在 五氯化磷 、 三氯氧磷 作用下， 反应 18.0h， 以60%的产率得到(甲基磺酰)甲烷磺酰氯
  参考文献：
  名称：

  （甲基磺酰基）甲磺酸2-氯乙基酯和相关的（甲基磺酰基）甲磺酸酯。体内抗肿瘤活性。

  摘要：

  经由亚硫中间体制备2-卤乙基和（甲基磺酰基）甲磺酸乙酯。（甲基磺酰基）甲磺酸2-氯乙基酯在体内对P388白血病具有高活性；每天以50 mg / kg的qd 1-5剂量使用该化合物治疗的大多数白血病小鼠存活超过30天，约37％存活超过60天。2-氟乙基（甲基磺酰基）甲磺酸盐在体内对P388细胞也非常有效，但毒性更高。其他（甲基磺酰基）甲磺酸酯比类似的甲磺酸酯和氯甲磺酸酯更具活性。

  DOI：

  10.1021/jm00371a019

文献信息

• [EN] THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSÉS TRICYCLIQUES À BASE DE THIOPÈNE ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT LESDITS COMPOSÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003084959A1

  公开（公告）日：2003-10-16

  Compounds having the formula (I), and pharmaceutically-acceptable salts, hydrates and prodrugs thereof, are useful as anti-inflammatory agents, in which R1, R2, and R3 are hydrogen, halogen, alkyl, or perfluoroalkyl; R4 is an optionally substituted alkyl or cycloalkyl group; X is a linker; A is an aryl, heteroaryl, heterocycle, cycloalkyl, or is absent; and R7 is a substituent on A as defined in the specification.

  具有公式(I)的化合物，以及其中所述化合物的药物可接受的盐、水合物和前药，作为抗炎剂是有用的，其中R1、R2和R3是氢、卤素、烷基或全氟烷基；R4是可选地取代的烷基或环烷基团；X是连接基；A是芳基、杂芳基、杂环、环烷基，或是缺失的；R7是如说明书中定义的A上的取代基。
• [EN] PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLO[2,3-B]PYRIDINE CDK9 KINASE
  申请人：ABBVIE INC

  公开号：WO2014139328A1

  公开（公告）日：2014-09-18

  Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa).

  公开的是Formula (IIa)的化合物，其中R1、R2、R3A、R3B、R3C、R3D、R3E和R4如规范中所定义，并且其药用盐。这些化合物可用作治疗疾病，包括癌症的药物。还提供了包含一个或多个Formula (IIa)化合物的药物组合物。
• Synthesis and Antineoplastic Evaluation of α-Substituted Alkanesulfonates: Analogues of Clomesone
  作者：Y.Fulmer Shealy、Charles A. Krauth

  DOI：10.1002/jps.2600821203

  日期：1993.12

  several (methylsulfonyl)methanesulfonates that possess alkylating groups other than the 2-haloethyl groups. 2-Hydroxyethyl (methylsulfonyl)methanesulfonate was active against P388 leukemia (increases in lifespan, 66 and 94%), but was less effective than clomesone, which effects cures. The 3-chloropropyl and the propyl derivatives caused modest increases in lifespan. Therefore, several 2-chloroethyl α-substituted

  2-氯乙基（甲基磺酰基）甲磺酸盐（氯米松）对某些实验性肿瘤非常有效，目前正在初步临​​床试验中。准备了两组类似物以进一步探索此类磺酸盐的抗癌活性。在磺酸盐基团上具有吸电子基团α的几种2-氯乙基磺酸盐；其中，在针对小鼠的P388白血病试验中，α-氯乙烷磺酸盐和（三氟甲基）-甲磺酸盐分别导致寿命增加45％和72％。第二组由具有除2-卤代乙基之外的烷基化基团的几种（甲基磺酰基）甲磺酸盐组成。2-羟乙基（甲基磺酰基）甲磺酸盐对P388白血病有活性（寿命分别增加66％和94％），但效果不如克罗美松，后者可治愈。3-氯丙基和丙基衍生物引起寿命的适度增加。因此，几种2-氯乙基α-取代的甲磺酸盐对P388白血病的疗效不如α-（甲基磺酰基）衍生物（氯美松），并且几种取代烷基（甲基磺酰基）甲磺酸的功效也较2-氯乙基衍生物（氯美松）低。 ）。由甲磺酰氯简化了克罗美松的合成至一个操作步骤。以及几种取代的（甲基磺酰
• Structure–activity relationship studies of a novel series of anthrax lethal factor inhibitors
  作者：Sherida L. Johnson、Li-Hsing Chen、Elisa Barile、Aras Emdadi、Mojgan Sabet、Hongbin Yuan、Jun Wei、Donald Guiney、Maurizio Pellecchia

  DOI：10.1016/j.bmc.2009.03.040

  日期：2009.5

  We report on the identification of a novel small molecule inhibitor of anthrax lethal factor using a high-throughput screening approach. Guided by molecular docking studies, we carried out structure–activity relationship (SAR) studies and evaluated activity and selectivity of most promising compounds in in vitro enzyme inhibition assays and cellular assays. Selected compounds were further analyzed

  我们报告了使用高通量筛选方法鉴定炭疽致死因子的新型小分子抑制剂。在分子对接研究的指导下，我们进行了构效关系 (SAR) 研究，并在体外酶抑制试验和细胞试验中评估了最有希望的化合物的活性和选择性。对所选化合物的体外 ADME 特性进行了进一步分析，这使我们能够选择两种化合物进行进一步的初步体内功效研究。所提供的数据代表了进一步药理学和药物化学优化的基础，这些优化可能会产生新的抗炭疽疗法。
• Oxidative Spirocyclization of Phenolic Sulfonamides: Scope and Applications
  作者：Huan Liang、Marco A. Ciufolini

  DOI：10.1002/chem.201001402

  日期：2010.11.22

  A full account of the oxidative dearomatization of para‐ and ortho‐phenolic sulfonamides is provided together with an overview of the chemistry of the products and their elaboration to building blocks for spirocyclic alkaloids. A concise total synthesis of putative lepadiformine complements the discussion.

  提供了对-和邻-酚磺酰胺氧化脱芳香化作用的完整说明，并概述了产品的化学性质以及它们对螺环生物碱的构成基础的阐述。简洁的假定推定的二甲双胍总合成法补充了讨论。