对甲苯磺酰氧甲基膦酸二乙酯 | 31618-90-3

• 物质功能分类: 有机原料 - 有机膦化合物
• 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: 对甲苯磺酰氧甲基膦酸二乙酯
• 中文别名: 对甲苯磺酰氧甲基瞵酸二乙酯；对甲苯磺酰氧甲基瞵酸二乙酯(DESMP)；对甲苯磺酰氧甲基磷酸二乙酯；DETP；DESMP；泰诺福韦酯中间体1
• 英文名称: diethyl (p-toluenesulfonyloxymethane)phosphonate
• 英文别名: diethyl p-tolylsulfonyloxymethyl phosphonate；diethyl p-toluenesulfonyloxymethylphosphonate；(diethoxyphosphoryl)methyl 4-methylbenzenesulfonate；diethyl (tosyloxy)methylphosphonate；diethoxyphosphorylmethyl 4-methylbenzenesulfonate
• CAS: 31618-90-3
• 化学式: C₁₂H₁₉O₆PS
• mdl: MFCD03412078
• 分子量: 322.319
• InChiKey: UOEFFQWLRUBDME-UHFFFAOYSA-N

物化性质

• 沸点：
  137°C/0.02mmHg(lit.)
• 密度：
  1.255
• 溶解度：
  氯仿（微溶）、二氯甲烷、乙酸乙酯、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 安全说明：
  S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  冰箱，在惰性气体保护下

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Diethyl (tosyloxy)methylphosphonate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Diethyl (tosyloxy)methylphosphonate
CAS number: 31618-90-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C12H19O6PS
Molecular weight: 322.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

对甲苯磺酰氧甲基膦酸二乙酯是阿德福韦酯和泰诺福韦酯的重要一步中间体，广泛应用于实验室研发过程及化工生产合成中。

用途

对甲苯磺酰氧甲基膦酸二乙酯用作替诺福韦酯中间体、核苷类抗病毒药物的中间体、膦配体、除草剂和杀菌剂等。

反应信息

• 作为反应物：
  描述：

  对甲苯磺酰氧甲基膦酸二乙酯 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 sodium sulfide 作用下， 以 乙醇 为溶剂， 以89%的产率得到bis-(diethoxy)phosphorylmethyl disulfide
  参考文献：
  名称：

  苯并噻唑基取代的α-磷酰基甲基亚砜与几种胺的反应

  摘要：

  我们已经检查了α-磷酰基甲基苯并噻唑基亚砜在热解中以及在几种胺（例如苯胺，苄胺，哌啶，吗啉和吡咯烷）的存在下的反应性。在2,3-二甲基-1,3-丁二烯，得到存在的衍生物的Thermolyses 2 -磷酰基被取代的4,5-二甲基-3,6-二氢-2 H ^ -噻喃小号氧化物。在与胺的反应中，复合产物混合物包含α-磷酰基甲基苯并噻唑基硫化物（2和5），α-磷酰基甲基二硫化物（15和16）以及2-氨基取代的苯并噻唑14发现除目标膦碳硫磺酰胺外还形成了H。进行了一些机理研究以阐明形成机理，特别是对于起始亚砜的脱氧产物，即分别为3和6的2和5。

  DOI：

  10.1016/j.tet.2008.02.028
• 作为产物：
  描述：

  羟甲基膦酸二乙酯 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 17.0h， 以75%的产率得到对甲苯磺酰氧甲基膦酸二乙酯
  参考文献：
  名称：

  WO2008/56264

  摘要：

  公开号：
• 作为试剂：
  描述：

  (R)-1-[6-(ethylamino)-9H-purin-9-yl]propan-2-ol 在 magnesium 2-methylpropan-2-olate 、 对甲苯磺酰氧甲基膦酸二乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以9.24 g的产率得到N-乙基-9H-嘌呤-6-胺
  参考文献：
  名称：

  10.1691/ph.2015.4132

  摘要：

  DOI：

  10.1691/ph.2015.4132

文献信息

• ヌクレオチドアナログ
  申请人：ギリアード サイエンシーズ, インコーポレイテッド

  公开号：JP2015164934A

  公开（公告）日：2015-09-17

  PROBLEM TO BE SOLVED: To provide, e.g., intermediates for phosphonomethoxy nucleotide analogs, in particular, intermediates suitable for use in efficient oral delivery of such analogs.SOLUTION: Novel compounds are provided that comprise esters of antiviral phosphonomethoxy nucleotide analogs with carbonates and/or carbamates having the structure -OC(R2)2OC(O)X(R)a, The compounds are useful as intermediates for the preparation of antiviral compounds or oligonucleotides, or are useful for administration directly to patients for antiviral therapy or prophylaxis (R2 is as described in the specifications ).

  要解决的问题：提供磷酸甲氧基核苷类似物的中间体，特别是适用于高效口服给药的中间体。解决方案：提供了包括抗病毒磷酸甲氧基核苷类似物的酯与具有结构-OC(R2)2OC(O)X(R)a的碳酸酯和/或氨基甲酸酯的新化合物。这些化合物可用作制备抗病毒化合物或寡核苷酸的中间体，或者可直接用于抗病毒治疗或预防的患者（其中R2如规范中所述）。
• Isomerisation of Vinyl Sulfones for the Stereoselective Synthesis of Vinyl Azides
  作者：Niall Collins、Robert Connon、Goar Sánchez‐Sanz、Paul Evans

  DOI：10.1002/ejoc.202001065

  日期：2020.10.22

  The efficient isomerisation of a range of γ‐azido substituted vinyl sulfones is reported. The corresponding vinyl azides are typically obtained with high levels of Z‐stereochemistry. An exception is when R is an α‐methyl substituent is present when the E‐vinyl azide was preferred.

  据报道，一系列γ-叠氮基取代的乙烯基砜得到了有效的异构化。相应的乙烯基叠氮化物通常以较高的Z立体化学含量获得。一个例外是，当优先使用E-乙烯基叠氮化物时，当R是一个α-甲基取代基时。
• [EN] ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS<br/>[FR] COMPOSÉS ARYLE, HÉTÉROARYLE, ET HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES IMMUNITAIRES ET INFLAMMATOIRES
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2017035409A1

  公开（公告）日：2017-03-02

  Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I'" or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduces the excessive activation of complement.

  提供含有公式I、I"和I'"的补体因子D抑制剂、使用方法和制备过程，或其药物可接受的盐或组合物。本文所述的抑制剂针对因子D并抑制或调节补体级联反应。本文所述的因子D抑制剂减少了补体的过度激活。
• Modulators of toll-like receptor 7
  申请人：Chong S. Lee

  公开号：US20080008682A1

  公开（公告）日：2008-01-10

  The present application provides for a compound of Formula I or II: or a pharmaceutically acceptable salt, solvate, and/or ester thereof, compositions containing such compounds, therapeutic methods that include the administration of such compounds, and therapeutic methods that include the administration of such compounds with at least one additional active agent.

  本申请提供了一种公式I或II的化合物： 或其药用可接受的盐、溶剂化物和/或酯，包含此类化合物的组合物，包括施用此类化合物的治疗方法和包括与至少一个附加活性剂施用此类化合物的治疗方法。
• [EN] STRAD-BINDING AGENTS AND USES THEREOF<br/>[FR] AGENTS DE LIAISON À STRAD ET LEURS UTILISATIONS
  申请人：UNIV CALIFORNIA

  公开号：WO2021155004A1

  公开（公告）日：2021-08-05

  Disclosed herein, inter alia, are compounds for binding STRAD pseudokinase and uses thereof.

  披露的内容包括，但不限于，用于结合STRAD假激酶的化合物及其用途。