2-乙酰氧基乙基膦酸二甲酯 | 39118-50-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 中文名称: 2-乙酰氧基乙基膦酸二甲酯
• 中文别名: [2-(乙酰基氧基)-乙基]-磷酸二甲酯
• 英文名称: 2-acetoxyethanephosphonic acid dimethyl ester
• 英文别名: β-Acetoxyethanphosphonsaeuredimethylester；2-Acetoxyethanphosphonseauredimethylester；dimethyl β-acetoxyethylphosphonate；dimethyl (2-acetyloxyethyl)phosphonate；2-(dimethoxyphosphoryl)ethyl acetate；2-Dimethylphosphonoethyl acetate；Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester；2-dimethoxyphosphorylethyl acetate
• CAS: 39118-50-8
• 化学式: C₆H₁₃O₅P
• mdl: MFCD00043867
• 分子量: 196.14
• InChiKey: GRKZBWJKCYATKH-UHFFFAOYSA-N

物化性质

• 沸点：
  104-105 °C(Press: 5 Torr)
• 密度：
  1.21
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2931900090
• 安全说明：
  S24/25
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	Dimethyl 2-acetoxyethylphosphonate Material Safety Data Sheet
Synonym:
CAS:	39118-50-8

Section 1 - Chemical Product MSDS Name:Dimethyl 2-acetoxyethylphosphonate Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39118-50-8	Dimethyl 2-acetoxyethylphosphonate		254-301-9

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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 39118-50-8: 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: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 1 deg C ( 33.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2165
Molecular Formula: C6H13O5P
Molecular Weight: 196.0618

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39118-50-8: SZ6477500 LD50/LC50:
Not available.
Carcinogenicity:
Dimethyl 2-acetoxyethylphosphonate - 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# 39118-50-8: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39118-50-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39118-50-8 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-乙酰氧基乙基膦酸二甲酯 在 三苯基膦 作用下， 以 水 为溶剂， 生成 乙烯基膦酸
  参考文献：
  名称：

  Process for the preparation of vinylphosphonic acid

  摘要：

  制备乙烯基膦酸的过程，通过在酸性或碱性催化剂的存在下，加热一般式为##STR1##其中R表示具有1-4个碳原子的烷基基团的2-乙酰氧基乙基膦酸二烷基酯，在150℃至270℃下消除烷基乙酸酯，然后在150℃至230℃的温度下用水水解剩余的反应混合物，同时蒸馏形成的醇。

  公开号：

  US04386036A1
• 作为产物：
  描述：

  乙酸乙烯酯 、 亚磷酸氢二甲酯 在 二叔丁基过氧化物 作用下， 130.0~150.0 ℃ 、200.0 kPa 条件下， 反应 4.25h， 以95%的产率得到2-乙酰氧基乙基膦酸二甲酯
  参考文献：
  名称：

  单烷基化 DES 酯类化合物 合成 DE MONOSELS ET DE 单酸类化合物

  摘要：

  摘要 Ce mémoire décrit la synthèse et la caractérisation principalement par RMN du 1H et 31P de monosels et de monoacides à partir de divers phosphonates porteurs de groupementsalkales de C1à C18 ou de groupementsalkènes (allyl etvinyl)。Nous avons ëgalement utilisé des composes fonctionnels porteurs d'alcool ou d'acétate et les résultats montrent la sélectivité de la réaction。La méthnde utilisée 遇到了

  DOI：

  10.1080/10426500108040229

文献信息

• Preparation of phosphorus-organic esters
  申请人：Hoechst Aktiengesellschaft

  公开号：US03962378A1

  公开（公告）日：1976-06-08

  2-Hydroxyethane-phosphonic acid diesters, 2-hydroxyethylphoshinic acid esters and the corresponding thiophoshonic acid-O,O-diesters or thiophosphinic acid-O-esters of the formula ##EQU1## wherein R.sub.1 is alkyl having from 1 to 18 carbon atoms, R.sub.2 has the meaning of R.sub.1 or represents cycloalkyl having up to 10 carbon atoms, alkenyl having up to 18 carbon atoms, aryl having up to 14 carbon atoms or aralkyl having up to 15 carbon atoms, R.sub.3 means hydrogen, alkyl having up to 18 carbon atoms, alkenyl having up to 18 carbon atoms, cycloalkyl having up to 10 carbon atoms, aryl having up to 14 carbon atoms or aralkyl having up to 15 carbon atoms, the substituents R.sub.1 -R.sub.3 optionally being substituted, X represents oxygen or sulfur and n represents either 0 or 1, are prepared from 2-acyloxyethane-phosphonic acid diesters, 2-acyloxy-ethyl-phoshinic acid esters or the corresponding thiophoshonic acid-O,O-diesters or thiophoshinic acid-O-esters and are important intermediate products for the preparation of plant protecting agents and flame-proofing agents.

  2-羟基乙烷膦酸二酯、2-羟基乙基膦酸酯以及相应的噻膦酸-O,O-二酯或噻膦酸-O-酯的化学式如下： 其中R.sub.1为具有1至18个碳原子的烷基，R.sub.2具有与R.sub.1相同含义或代表具有最多10个碳原子的环烷基，最多18个碳原子的烯基，最多14个碳原子的芳基或最多15个碳原子的芳基烷基，R.sub.3表示氢，最多18个碳原子的烷基，最多18个碳原子的烯基，最多10个碳原子的环烷基，最多14个碳原子的芳基或最多15个碳原子的芳基烷基，取代基R.sub.1-R.sub.3可选择性地被取代，X代表氧或硫，n代表0或1。这些化合物是从2-酰氧基乙烷膦酸二酯、2-酰氧基乙基膦酸酯或相应的噻膦酸-O,O-二酯或噻膦酸-O-酯制备而成的，是制备植物保护剂和防火剂的重要中间体。
• Novel dialkyl vinyl ether phosphonate monomers: Their synthesis and alternated radical copolymerizations with electron-accepting monomers
  作者：Fadela Iftene、Ghislain David、Bernard Boutevin、Rémi Auvergne、Ali Alaaeddine、Rachid Meghabar

  DOI：10.1002/pola.26020

  日期：2012.6.15

  new vinyl ether monomers containing phosphonate moieties were synthesized from transetherification reaction. We showed that the yield was dependent on the spacer length between the vinyl oxy group and the phosphonate moieties: when the spacer is a single methylene side reaction may occur, leading to the formation of acetal compounds. Free‐radical copolymerizations of phosphonate‐containing vinyl ether

  通过醚交换反应合成了三种新的含膦酸酯部分的乙烯基醚单体。我们表明，产率取决于乙烯基氧基和膦酸酯部分之间的间隔基长度：当间隔基为单个亚甲基时，可能会发生副反应，从而导致缩醛化合物的形成。进行了含膦酸酯的乙烯基醚单体与马来酸酐的自由基共聚反应，形成了分子量较低（1000至7000 g / mol）的交替共聚物。凝胶渗透色谱和31P NMR分析增强了由膦酸酯部分发生的可能的分子内转移反应。动力学研究表明，膦酸酯部分的吸电子特性趋于降低共聚速率。然而，与乙烯基氧乙基膦酸二甲酯（VEC 2 PMe）反应30分钟后，几乎达到了完全的单体转化。然后，VEC 2的自由基共聚具有一系列电子接受单体（即马来酸二丁酯，衣康酸二丁酯，衣康酸酐，丁基马来酰亚胺和甲基马来酰亚胺）的PMe生成了一系列交替共聚物。从动力学研究中，我们发现电子接受效果越高，乙烯基醚的消耗越快，分子量也越高。©2012 Wiley Periodicals，Inc
• PREPARATION OF A HYDROXYALKYL PHOSPHONIC ACID
  申请人：Rohm and Haas Company

  公开号：US20150361117A1

  公开（公告）日：2015-12-17

  The present invention is a process for converting a phosphonate to a hydroxyalkyl phosphonic acid comprising the step of contacting together water, the phosphonate, and a sulfonated or phosphonated heterogeneous catalyst under conditions sufficient to convert at least 50% of the phosphonate to the hydroxyalkyl phosphonic acid. The process of the present invention provides a way of preparing hydroxyalkyl phosphonic acids safely and economically, without corrosive effects.

  本发明是一种将膦酸酯转化为羟基烷基膦酸的方法，包括将水、膦酸酯和磺化或膦化的异相催化剂接触，以足够的条件将至少50％的膦酸酯转化为羟基烷基膦酸。本发明的方法提供了一种安全、经济的制备羟基烷基膦酸的方法，而不会产生腐蚀作用。
• 稠环化合物、包含其的药物组合物及应用
  申请人：成都海博为药业有限公司

  公开号：CN116891488A

  公开（公告）日：2023-10-17

  本发明涉及医药技术领域，本发明提供了一种稠环化合物、包含其的药物组合物及应用，所述化合物具有式(I)所示结构或其互变异构体、内消旋体、外消旋体、对映异构体、非对映异构体或其混合物形式、代谢产物、代谢前体、同位素替代形式、药学上可接受的盐、水合物、溶剂化物、多晶型物或共晶物；本发明提供的化合物可用于治疗KRAS突变导致的癌症，所述KRAS突变导致的癌症选自KRAS G12C，KRAS G12V，KRAS G12A和G12D突变导致的癌症中的一种或多种，特别是可作为G12D抑制剂，具有较高的抑制活性。#imgabs0#
• Verfahren zur Herstellung von Vinylphosphonsäuredimethylester aus 2-Acetoxyethanphosphonäuredimethylester
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0722948A1

  公开（公告）日：1996-07-24

  Die Erfindung betrifft ein Verfahren zur Herstellung von Vinylphosphonsäuredimethylester durch thermische Spaltung von 2-Acetoxyethanphosphonsäuredimethylester in der Gasphase, dadurch gekennzeichnet, daß man 2-Acetoxyethanphosphonsäuredimethylester verdampft und unkatalysiert bei Temperaturen von 400 bis 700°C in Vinylphosphonsäuredimethyl-ester und Essigsäure spaltet.

  本发明涉及一种在气相中通过热裂解 2-乙酰氧基乙烷膦酸二甲酯制备乙烯基膦酸二甲酯的工艺，其特征在于 2-乙酰氧基乙烷膦酸二甲酯在 400 至 700°C 的温度下气化并在未催化的情况下裂解为乙烯基膦酸二甲酯和乙酸。