甲磺酸丙酯 | 1912-31-8

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 甲磺酸丙酯
• 中文别名: 甲磺酸正丙酯
• 英文名称: propyl methanesulfonate
• 英文别名: n-propyl methanesulfonate；n-propyl methane sulphonate
• CAS: 1912-31-8
• 化学式: C₄H₁₀O₃S
• 分子量: 138.188
• InChiKey: DKORSYDQYFVQNS-UHFFFAOYSA-N

物化性质

• 沸点：
  110°C/20mmHg(lit.)
• 密度：
  1.132 (estimate)
• 溶解度：
  氯仿（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2905199090
• 危险性防范说明：
  P264,P270,P301+P312+P330,P501
• 危险性描述：
  H302
• 储存条件：
  室温

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Propyl Methanesulfonate
Portland OR
Synonym Methanesulfonic acid, propyl ester (CA INDEX NAME);
Methanesulfonic Acid Propyl Ester
Chemical Formula C4H10O3S
CAS Number 1912-31-8

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
1912-31-8 Min. 98.0 (GC) Not available. Not available.
Propyl Methanesulfonate

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Section III. Hazards Identification
Acute Health Effects Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive effects.
Rat TDLo Intraperitoneal 400 mg/kg, male 1 day prior to mating
Toxic Effects:
Effects on Fertility - Male fertility index
Mouse TDLo Intraperitoneal 600 mg/kg, female 1 day prior to mating
Toxic Effects:
Effects on Fertility - Litter size
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
minutes. Get medical attention.
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
Skin Contact
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
May be combustible at high temperature. Auto-Ignition
Flammability
Flammable Limits Not available.
Flash Points Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2), sulfur oxides (SOx).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Propyl Methanesulfonate

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Section VI. Accidental Release Measures
Spill Cleanup Harmful material. Possibly mutagenic material.
Absorb with an inert material and put the spilled material in an appropriate waste disposal. Consult federal, state, and/or local
Instructions
authorities for assistance on disposal.

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Section VII. Handling and Storage
Handling and Storage HARMFUL. POSSIBLE MUTAGEN. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the
container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
Engineering Controls
threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Liquid. (Clear, colorless ~ light yellow.) Solubility
Physical state @ 20°C Not available.
1.15 (water=1)
Specific Gravity
138.19
Molecular Weight Partition Coefficient Not available.
Boiling Point 110°C (230°F) @ 20 mmHg Vapor Pressure Not available.
Not available. Not available.
Melting Point Vapor Density
1.42 Volatility Not available.
Refractive Index
Not available.
Critical Temperature Not available. Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
PB2680000
RTECS Number
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive effects.
Rat TDLo Intraperitoneal 400 mg/kg, male 1 day prior to mating
Toxic Effects:
Effects on Fertility - Male fertility index
Mouse TDLo Intraperitoneal 600 mg/kg, female 1 day prior to mating
Toxic Effects:
Effects on Fertility - Litter size
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Acute Toxic Effects
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
Propyl Methanesulfonate

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Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
PIN Number
Proper Shipping Name Not applicable.
Not applicable.
Packing Group (PG)
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) 217-619-9
EEC Risk Statements R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.
R46- May cause heritable genetic damage.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  甲磺酸丙酯 在 甲醇 、 氢氧化钾 、 双氧水 作用下， 生成 丙基氢过氧化物
  参考文献：
  名称：

  Peroxides. I. n-Alkyl Hydroperoxides

  摘要：

  DOI：

  10.1021/ja01640a036
• 作为产物：
  描述：

  丙醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 甲磺酸丙酯
  参考文献：
  名称：

  N-烷基化吡唑并[3,4-d]嘧啶类似物的合成及乙酰胆碱酯酶和碳酸酐酶抑制特性的评价

  摘要：

  稠合嘧啶，尤其是吡唑并[3,4- d ]嘧啶，是药理学研究中最优选的组成部分，因为它们表现出广泛的生物活性。本研究通过N1氮原子的烷基化合成了吡唑并[3,4- d ]嘧啶的新衍生物。我们合成了3-碘-1 ħ -吡唑并[3,4- d ]嘧啶-4-胺2由市售aminopyrazolopyrimidine 1使用Ñ碘代丁二酰亚胺作为碘化剂。化合物2的合成开始于3-iodo-1 H - pyrazolo[3,4- d的亲核取代]嘧啶-4-胺与R-X（X：-OMs，-Br，-Cl），得到 N-烷基化吡唑并[3,4- d ]嘧啶。我们使用弱无机碱进行这种合成，温和的温度也用于两步程序以生成N-烷基化吡唑并[3,4- d ]嘧啶衍生物。此外，还测试了所有化合物抑制乙酰胆碱酯酶 (AChE) 和人碳酸酐酶 (hCA) 异构体 I 和 II 的能力，ACh​​E 的K i值范围为 15.41 ± 1.39–63

  DOI：

  10.1002/ardp.202000330

文献信息

• Synthesis of Carbonates and Related Compounds from Carbon Dioxide via Methanesulfonyl Carbonates
  作者：Mark O. Bratt、Paul C. Taylor

  DOI：10.1021/jo026753g

  日期：2003.7.1

  Carbonate anions resulting from reaction of primary or secondary alcohols with carbon dioxide, when added to methanesulfonic anhydride in cooled acetonitrile solution, yield methanesulfonyl carbonates, a new class of synthetic intermediate. Base-mediated reaction of the methanesulfonyl carbonates with alcohols, thiols, and amines yields carbonates, thiocarbonates, and carbamates, respectively. Overall

  由伯醇或仲醇与二氧化碳反应生成的碳酸根阴离子，在冷却的乙腈溶液中加到甲磺酸酐中后，会产生甲磺酰碳酸酯，这是一类新的合成中间体。甲磺酰碳酸酯与醇，硫醇和胺的碱介导反应分别产生碳酸盐，硫代碳酸盐和氨基甲酸酯。这三个步骤的总产率从19％到42％不等。
• Upper‐Rim Monofunctionalisation in the Synthesis of Triazole‐ and Disulfide‐Linked Multicalix[4]‐ and ‐[6]arenes
  作者：William H. Gardiner、Matthew Camilleri、Luis A. Martinez‐Lozano、Sean P. Bew、G. Richard Stephenson

  DOI：10.1002/chem.201804755

  日期：2018.12.17

  valued in supramolecular chemistry. This work reports an easy and versatile synthetic route to covalently linked double and triple calix[4]arene and calix[6]arenes by a novel DMF‐controlled selective alkylation of a convenient and readily available upper‐rim dimethylaminomethyl‐substituted tetrahydroxy and hexahydroxy calix[4]arene and ‐[6]arenes. Synthetic routes to upper‐rim functionalised redox active

  共价连接的多个杯芳烃在超分子化学中很有价值。这项工作报告了一种简便，通用的合成路线，通过新颖的DMF控制的选择性烷基化，将上边缘二甲氨基甲基取代的四羟基和六羟基Calix通过新颖的DMF控制选择性烷基化，以共价连接双和三calix [4] arene和calix [6]芳烃。 [4]芳烃和-[6]芳烃。合成路线上-轮辋官能氧化还原活性的二硫键连接的双- ，四-和采用任一氧化还原化学（CH peptidohybrid-杯芳烃2 SH）或硫醇盐（CH 2小号- ）也从相同的密钥起始材料开辟了。
• [EN] PHENOXYTRIAZOLES<br/>[FR] PHÉNOXYTRIAZOLES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018087018A1

  公开（公告）日：2018-05-17

  The present invention relates to a compound of formula I, HetAr is a five or six membered heteroaryl group, selected from wherein R1 is hydrogen, halogen, lower alkyl, lower alkoxy or lower alkyl substituted by halogen, and may be the same or different, if two R1 occur; R2 is lower alkyl or a mono- or polydeutered derivative thereof, lower alkyl substituted by halogen or lower alkoxy, lower alkenyl unsubstituted or substituted by halogen, cycloalkyl or CH2-cycloalkyl unsubstituted or substituted by halogen, heterocycloalkyl or CH2-heterocycloalkyl unsubstituted or substituted by lower alkyl; R3 is halogen, lower alkyl, lower alkyl substituted by halogen, lower alkoxy substituted by halogen or S(0)2-lower alkyl; n is 1, 2 or 3; if n is >1, then R3 may be the same or different; or to a pharmaceutically active acid addition salt thereof, to a racemic mixture or to its corresponding enantiomer and/or an optical isomer and/or stereoisomer thereof. The compounds may be used for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica or Down syndrome.

  本发明涉及一种具有式I的化合物，其中HetAr是选择自的五元或六元杂环芳基，其中R1是氢、卤素、较低烷基、较低烷氧基或被卤素取代的较低烷基，且可以相同或不同，如果存在两个R1；R2是较低烷基或其单重或多重氘代衍生物，被卤素取代的较低烷基或较低烷氧基，未取代或被卤素取代的较低烯基，未取代或被卤素取代的环烷基或CH2-环烷基，未取代或被卤素取代的杂环烷基或 -杂环烷基，被较低烷基取代的卤素、较低烷基、被卤素取代的较低烷基、被卤素取代的较低烷氧基或S(0)2-较低烷基；n为1、2或3；如果n>1，则R3可以相同或不同；或其药学活性酸盐，或其外消旋混合物，或其对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗阿尔茨海默病、脑淀粉样血管病、遗传性脑出血伴淀粉样变性、荷兰型（HCHWA-D）、多梗死性痴呆、拳击性痴呆或唐氏综合征。
• 1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [CnH2n+1mim][CkH2k+1SO3]: synthesis and physicochemical properties
  作者：Marijana Blesic、Małgorzata Swadźba-Kwaśny、Tayeb Belhocine、H. Q. Nimal Gunaratne、José N. Canongia Lopes、Margarida F. Costa Gomes、Agílio A. H. Pádua、Kenneth R. Seddon、Luís Paulo N. Rebelo

  DOI：10.1039/b910177m

  日期：——

  A set of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [Cnmim][CkSO3], formed by the variation of the alkyl chain lengths both in the cation and the anion (n = 1–6, 8, or 10; k = 1–4, or 6), was synthesised, with sixteen of them being novel. The ionic liquids were characterised by 1H and 13C NMR spectroscopy, and mass spectrometry. Their viscosities and densities as a function of temperature, as well as melting points and decomposition temperatures, were determined. The molecular volumes, both experimental and calculated, were found to depend linearly on the sum (n + k).

  合成了一系列1-烷基-3-甲基咪唑硫酸烷基酯离子液体[Cnmim][CkSO3]，其中阳离子和阴子的烷基链长度均可变（n = 1-6，8 或 10；k = 1-4 或 6），其中有16种为新型离子液体。通过1H和13C核磁共振波谱学以及质谱分析表征了这些离子液体。测定了它们的粘度和密度随温度变化的函数关系、熔点和分解温度。无论是实验测得的分子体积还是计算得出的，都发现与烷基链长度之和（n + k）呈线性相关。
• Method of treating helminthiasis by parenteral or topical administration
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04076825A1

  公开（公告）日：1978-02-28

  A method is provided for treating or inhibiting helminthiasis by parenterally or topically administering sulfoxide derivatives of benzimidazoles having the structure ##STR1## wherein R.sup.1 is lower alkyl or phenyl-lower alkyl, and R.sup.2 is lower alkyl. Pharmaceutical compositions for use in the above method are also provided.

  提供了一种通过经肌肉注射或局部施用苯并咪唑的亚氧衍生物来治疗或抑制蠕虫病的方法，其具有结构##STR1## 其中R.sup.1为较低的烷基或苯基-较低的烷基，R.sup.2为较低的烷基。还提供了用于上述方法的药物组合物。

表征谱图